Brightway Flows 1.0
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4-chloro-6-methoxypyrimidine

fo-e5f99a39fa168f2a

Identity

Type
Neutral molecule
CAS
26452-81-3
EC
435-030-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-chloro-6-methoxypyrimidine

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KLJGSQVYUGQOAW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
IUPAC name chemrof:IUPAC_name 4-chloro-6-methoxypyrimidine
Molecular formula chemrof:molecular_formula C5H5ClN2O
Molecular mass chemrof:molecular_mass 144.561
Monoisotopic mass chemrof:monoisotopic_mass 144.00904
SMILES string chemrof:smiles_string COc1cc(Cl)ncn1

Known URLs

6

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=26452-81-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.203.430 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60359980 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J270.679B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1051509 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72453482 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
95cacda9-6907-444b-ad5f-a9a62997ed29 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
53255f30-76fc-48a3-8cd8-fd7ef7fa58c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
81081bbf-346d-4e8a-af62-d2ff7aecb51e Environmental → Air → Indoor EF 3.1 kg 2
12250522-ef95-48ca-bb4f-15f2073598ca Environmental → Air → Long-term EF 3.1 kg 0
cf32da96-4158-4c89-ab33-d48d77e8e95f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ea0bbdd0-7ba2-4c03-9230-ab6d371d9c7c Environmental → Air → Unknown EF 3.1 kg 2
7e7c770f-754f-4079-83d0-81266143d4fa Environmental → Ground → Agricultural EF 3.1 kg 2
d77f4db0-1327-4fc4-bb13-ecad78cb1a23 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a4ad63a7-2787-47cd-85ca-b6b653a4a08e Environmental → Ground → Unknown EF 3.1 kg 2
249df596-1089-4715-8170-007eb543e307 Environmental → Water → Long-term EF 3.1 kg 0
dadca349-51f0-45e1-96da-16bf7e1a5530 Environmental → Water → Ocean EF 3.1 kg 2
16a5e0b1-3e7b-49fb-b97b-9da298f6d28a Environmental → Water → Surface water EF 3.1 kg 2
666a0c09-ac9e-4ce2-aa41-7b5df8e1b018 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e5f99a39fa168f2a",
  "prefLabel": [
    {
      "@value": "4-chloro-6-methoxypyrimidine",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "Pyrimidine, 4-chloro-6-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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      },
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      "rdfs:label": "InChIKey",
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    },
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    },
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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": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
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          ]
        },
        {
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        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J270.679B",
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  ],
  "created_from": {
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    "seed_uuid": "12250522-ef95-48ca-bb4f-15f2073598ca",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "origin_qualifier": null,
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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