Flumiclorac-pentyl

Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester
Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester
Flumiclorac pentyl
Flumiclorac pentyl ester
Resource
Sumiverde

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	IRECWLYBCAZIJM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3
IUPAC name chemrof:IUPAC_name	Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester
Molecular formula chemrof:molecular_formula	C21H23ClFNO5
Molecular mass chemrof:molecular_mass	423.868
Monoisotopic mass chemrof:monoisotopic_mass	423.124879, 423.12488
SMILES string chemrof:smiles_string	CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl

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=87546-18-7	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5104	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.120.673	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2032554	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1897630	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/67CZ8IH915	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0034860	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J660.020D	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C10990	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C10990	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46719	enrich_references.pubchem_identifier_url
ppdb	ppdb:1161	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/443048	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27106659	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
64b1ce33-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9113-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b3ae8313-2543-4658-b817-408fb1b043e6	Environmental → Air → Indoor	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9112-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-a067-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9111-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
4d9a8790-3ddd-11dd-910f-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
08a91e70-3ddc-11dd-a0cd-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
7c0a0491514e143ff8dc5039b3a26ae41f4f2440	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
4d9a8790-3ddd-11dd-9110-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
08a91e70-3ddc-11dd-a069-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-a0ce-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
479afdf4e3647c56e9e845570c7b9608bdab97de	Environmental → Water → River	agribalyse algorithm addition	kg	0
08a91e70-3ddc-11dd-a068-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
0b6757c8d4dbf159416791755e01aa1cd9a59603	Environmental → Water → Unconfined aquifer	stepwise algorithm addition	kg	0
08a91e70-3ddc-11dd-a06a-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Flumiclorac-pentyl

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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