Consensus flow list

Identity

Type
Neutral molecule
CAS
535-80-8
EC
208-618-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 3-chlorobenzoic Acid

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LULAYUGMBFYYEX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
IUPAC name chemrof:IUPAC_name 3-chlorobenzoic Acid
Molecular formula chemrof:molecular_formula C7H5ClO2
Molecular mass chemrof:molecular_mass 156.568
Monoisotopic mass chemrof:monoisotopic_mass 155.997807, 155.99781
SMILES string chemrof:smiles_string O=C(O)c1cccc(Cl)c1

Known URLs

23

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
agr agr:IND44746242 enrich_references.chebi_xrefs
beilstein beilstein:907218 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=535-80-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49410 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.837 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9024770 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8443 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL20563 enrich_references.pubchem_identifier_url
gmelin gmelin:3664 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/02UOJ7064K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001544 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.164H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37861 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-3486 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:3BZ enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/447 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166726 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22805844 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24082747 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3107223 enrich_references.chebi_xrefs
reaxys reaxys:907218 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2823210 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Chlorobenzoic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7937dee2-ce35-48fc-ac9c-580e36b1770a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7f862fec-d969-44a6-81fd-b760f2034924 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7184c7d8-9e1f-4109-b5f9-d87fd0e4534f Environmental → Air → Indoor EF 3.1 kg 2
41237e60-94a4-4007-9e1b-f46a8d7ba5f1 Environmental → Air → Long-term EF 3.1 kg 0
05be8139-b0aa-4451-938c-978b148b0487 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f27d6acb-f71e-4abc-9855-3eac625dc78c Environmental → Air → Unknown EF 3.1 kg 2
48d1166f-c3b0-4a44-b44f-08eb9df19e9b Environmental → Ground → Agricultural EF 3.1 kg 2
32cf44b9-0e1a-44d8-a0df-b062980a4f48 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a0583f55-1213-461b-b869-3103678f2a4c Environmental → Ground → Unknown EF 3.1 kg 2
10a74bd8-fbe9-4b00-9f8f-0e6859cfe7b9 Environmental → Water → Long-term EF 3.1 kg 0
a3374c3f-8669-40b6-8168-4ebfb8a4a767 Environmental → Water → Ocean EF 3.1 kg 2
d54614ee-527a-4121-bf19-fb60537ec8af Environmental → Water → Surface water EF 3.1 kg 2
72ef1a94-e9b9-4588-a746-7b6fb117a0ee Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
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}

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