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Fluoroglycofen-ethyl

fo-3134355f0352781c

Identity

Type
Neutral molecule
CAS
77501-90-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
21 across every transformer

Structure

Structure diagram for Fluoroglycofen-ethyl

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IPPAUTOBDWNELX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
IUPAC name chemrof:IUPAC_name 2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate
Molecular formula chemrof:molecular_formula C18H13ClF3NO7
Molecular mass chemrof:molecular_mass 447.749
Monoisotopic mass chemrof:monoisotopic_mass 447.033264
SMILES string chemrof:smiles_string CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

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
agr agr:IND606825420 enrich_references.chebi_xrefs
agr agr:IND91054350 enrich_references.chebi_xrefs
agr agr:IND91054370 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=77501-90-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:233301 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.075 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041983 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185853 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0RCH0H6C4N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J669.727E enrich_references.pubchem_identifier_url
patent patent:CN101622991 enrich_references.chebi_xrefs
patent patent:CN101822261 enrich_references.chebi_xrefs
pesticides pesticides:derivatives/fluoroglycofen-ethyl enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53672 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21424684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22752219 enrich_references.chebi_xrefs
reaxys reaxys:13251847 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q15632848 enrich_references.pubchem_identifier_url

Elementary flows

1
Flow Context Source Unit CFs
94c1f1ea-af80-4e42-be65-e5c0279c918c Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (21 changes)

Open the changes page

Full record

Flow object JSON 
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}

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