Brightway Flows 1.0
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Fenoxaprop-ethyl

fo-6d7dda9608b77c39

Identity

Type
Neutral molecule
CAS
66441-23-4
EC
266-362-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Fenoxaprop-ethyl

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PQKBPHSEKWERTG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester
Molecular formula chemrof:molecular_formula C18H16ClNO5
Molecular mass chemrof:molecular_mass 361.781
Monoisotopic mass chemrof:monoisotopic_mass 361.0717
SMILES string chemrof:smiles_string CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1

Known URLs

18

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=66441-23-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5008 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.311 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2032392 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB05252 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL37932 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7U20WEM458 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252211 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2934.99.07.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J211.539E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11024 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11024 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67757 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL37932 enrich_references.pubchem_identifier_url
ppdb ppdb:302 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/47938 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27095578 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
3e4d77ae-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-90f5-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
31cd8de2-ba2f-4f42-87f0-c317af6cf29f Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-90f4-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-90f6-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-90f3-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-90f1-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-90d9-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
07c8f710d23ffde25619d8f01a19bc4c4b7a0bcf Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-90f2-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-90d7-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-90da-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-90d6-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
61ccc54da36e46b1513fdb9bef329dadf8ddeaac Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-90d8-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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