Methyl (2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate

2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester
Methyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CDKRRBYJCYFHFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H7F2NO4/c1-17-11(16)8(6-15)5-7-3-2-4-9-10(7)19-12(13,14)18-9/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester
Molecular formula chemrof:molecular_formula	C12H7F2NO4
Molecular mass chemrof:molecular_mass	267.187
Monoisotopic mass chemrof:monoisotopic_mass	267.034314
SMILES string chemrof:smiles_string	COC(=O)C(C#N)=Cc1cccc2c1OC(F)(F)O2

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=1333488-95-1	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
d65b5224-fb6f-4f93-84f9-e0606795405f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b6337618-0b94-4552-a96a-c92f564a8c55	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
010a12dd-3077-4c21-9e10-6982f8ce4082	Environmental → Air → Indoor	EF 3.1	kg	2
44629dd8-9c8f-450f-b090-12d790bf365f	Environmental → Air → Long-term	EF 3.1	kg	0
e2ad958f-d7e1-459d-8e81-a91df24c4324	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ea7e3070-ddd9-4462-bd16-eafec971937e	Environmental → Air → Unknown	EF 3.1	kg	2
6e578345-ec78-4e22-9022-dbf0127f3300	Environmental → Ground → Agricultural	EF 3.1	kg	2
0a0c2d39-2b6e-4b68-987e-36988af13522	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
d1a29ac4-315a-457c-87a7-541ed2149d2c	Environmental → Ground → Unknown	EF 3.1	kg	2
75142be1-fc9f-4942-a637-dbf7c811116a	Environmental → Water → Long-term	EF 3.1	kg	0
347201b4-c23a-42b5-b0e7-df13bcd6f588	Environmental → Water → Ocean	EF 3.1	kg	2
bfc0539f-0e8f-43cd-9d2a-5b999be3f397	Environmental → Water → Surface water	EF 3.1	kg	2
b3981947-a84f-4bb5-95b4-466f5becaaa6	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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Methyl (2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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