Brightway Flows 1.0
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6-nitroquinoline

fo-bb938330aeae9e0e

Identity

Type
Neutral molecule
CAS
613-50-3
EC
210-346-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 6-nitroquinoline

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SMHPLBXIVNQFBA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
IUPAC name chemrof:IUPAC_name 6-nitroquinoline
Molecular formula chemrof:molecular_formula C9H6N2O2
Molecular mass chemrof:molecular_mass 174.159
Monoisotopic mass chemrof:monoisotopic_mass 174.042927
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc2ncccc2c1

Known URLs

9

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=613-50-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.407 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020984 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4141 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL353078 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7033583N3J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.997A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11945 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27265819 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
49253113-194e-42b1-bcb3-daa59d3523e2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f935555c-a98d-42ac-86c1-1a117794704e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a4e54cfa-5919-4de8-9cc1-257f9bab1afc Environmental → Air → Indoor EF 3.1 kg 2
0d8849e2-2d16-46bb-8706-e2f01109053c Environmental → Air → Long-term EF 3.1 kg 0
e300a568-5774-4e0c-ad8d-4ff10a19480f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e66e4090-9b9f-41a0-9a71-a55c433836e7 Environmental → Air → Unknown EF 3.1 kg 2
52e8fe3f-00cb-4d65-b6f6-77095895b981 Environmental → Ground → Agricultural EF 3.1 kg 2
cc52b1cd-b25a-4f21-b198-1a92ab443fd5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5920e6f4-56c3-4d09-b5cd-04e0a6b32a1d Environmental → Ground → Unknown EF 3.1 kg 2
87b03594-01cd-4843-8efd-ff391ddcc721 Environmental → Water → Long-term EF 3.1 kg 0
7c2cdb4e-1fdf-4783-a425-a221f384cd1a Environmental → Water → Ocean EF 3.1 kg 2
eab11d75-1ae6-46d6-995c-5ab54d88cc71 Environmental → Water → Surface water EF 3.1 kg 2
02ff669e-93ff-4aa9-ba3b-f5c9a6a0430c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-bb938330aeae9e0e",
  "prefLabel": [
    {
      "@value": "6-nitroquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Quinoline, 6-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=613-50-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C9H6N2O2"
      ],
      "attested_by": {
        "C9H6N2O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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        }
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "SMHPLBXIVNQFBA-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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      "rdfs:label": "InChI",
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      "provenance": [
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      "@value": [
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        ]
      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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        },
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          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccc2ncccc2c1"
          ]
        }
      ],
      "attested_by": {
        "174.042927": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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      "provenance": {
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        "prov:hadPrimarySource": [
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  ],
  "created_from": {
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    "seed_uuid": "02ff669e-93ff-4aa9-ba3b-f5c9a6a0430c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  ]
}

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