Consensus flow list

Chlorendic Acid

fo-d2600a248b78223b

Identity

Type
Neutral molecule
CAS
115-28-6
EC
204-078-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Chlorendic Acid

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DJKGDNKYTKCJKD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
IUPAC name chemrof:IUPAC_name 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
Molecular formula chemrof:molecular_formula C9H4Cl6O4
Molecular mass chemrof:molecular_mass 388.845
Monoisotopic mass chemrof:monoisotopic_mass 385.82407, 385.824075
SMILES string chemrof:smiles_string O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Known URLs

28

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=115-28-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76603 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.708 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020268 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22231 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41876 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=519 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL462314 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.560D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19204 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19204 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44353 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8266 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/12748725 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1367592 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15318386 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18961903 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21089823 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21850124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2197462 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22584684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2629100 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7120517 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8792842 enrich_references.chebi_xrefs
reaxys reaxys:1892213 enrich_references.chebi_xrefs
reaxys reaxys:8156979 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1854296 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chlorendic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f2154a6c-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-971e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4981d137-3bd3-4c91-b9c7-723ff16137a1 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-971d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-971f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f7-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f5-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-96f8-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9720-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-96f6-0050c2490048 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 
{
  "flow_object_id": "fo-d2600a248b78223b",
  "prefLabel": [
    {
      "@value": "Chlorendic Acid",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid",
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    },
    {
      "@value": "5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-",
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    {
      "@value": "HET acid",
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    {
      "@value": "Hexachloro-endo-methylenetetrahydrophthalic acid",
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    },
    {
      "@value": "Hexachloroendomethylenetetrahydrophthalic acid",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "IUPAC name",
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  "references": [
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