Consensus flow list

Identity

Type
Neutral molecule
CAS
76-29-9
EC
200-950-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-bromobornan-2-one

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NJQADTYRAYFBJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-bromobornan-2-one
Molecular formula chemrof:molecular_formula C10H15BrO
Molecular mass chemrof:molecular_mass 231.133
Monoisotopic mass chemrof:monoisotopic_mass 230.030627
SMILES string chemrof:smiles_string CC12CCC(C(Br)C1=O)C2(C)C

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=76-29-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.152.215 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10858711 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26355 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4303364 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.731F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.171H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6438 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4096902 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d275494c-5bac-4057-b16e-4ec7b691c403 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9bdf5f55-eb03-4f58-a237-76ee6862bfa7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
67b549a6-d9d8-4de8-91ff-8b2d8a170bdb Environmental → Air → Indoor EF 3.1 kg 2
fdc9887d-eade-4381-ae36-651039dd95cb Environmental → Air → Long-term EF 3.1 kg 0
8bd9534a-3388-4ee5-94b2-b2da5721de1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
22952f76-d601-4b35-8fce-b7952ed0c7f7 Environmental → Air → Unknown EF 3.1 kg 2
ff1a7ec0-fa27-4eeb-a074-b33846499663 Environmental → Ground → Agricultural EF 3.1 kg 2
8b6ff6bb-81dd-47e8-95f2-40f51d47946b Environmental → Ground → Non-agricultural EF 3.1 kg 2
d826550e-01ff-44ed-9c5f-a31bcc840610 Environmental → Ground → Unknown EF 3.1 kg 2
a8034787-e1a2-4018-99ff-cc43ff69bb3b Environmental → Water → Long-term EF 3.1 kg 0
f649f2b8-a62a-45a9-9235-d229d1f02de3 Environmental → Water → Ocean EF 3.1 kg 2
99854130-8277-4b4f-a6a9-45cd6eeea9c6 Environmental → Water → Surface water EF 3.1 kg 2
a986578a-6ab9-4442-a99c-541ab6e39542 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-e9f96db35a3958fc",
  "prefLabel": [
    {
      "@value": "3-bromobornan-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Bornanone, 3-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:76-29-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=76-29-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=76-29-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Bromocamphor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=76-29-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=76-29-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Camphor bromide",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Camphor, 3-bromo-",
      "@language": "en",
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      "provenance": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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