Methyl 2-cyano-3-(5-bromo-2-furyl)acrylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6BrNO3
Molecular Weight	256.053
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2-cyano-3-(5-bromo-2-furyl)acrylate

Structure Search

SMILES

COC(=O)C(=C\C1=CC=C(Br)O1)\C#N

InChI

InChIKey=SEPZDRVJHMRNPK-GQCTYLIASA-N

InChI=1S/C9H6BrNO3/c1-13-9(12)6(5-11)4-7-2-3-8(10)14-7/h2-4H,1H3/b6-4+

HIDE SMILES / InChI

Molecular Formula	C9H6BrNO3
Molecular Weight	256.053
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:57:11 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:11 GMT 2025`
Record UNII	KHB3CHK5XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Cyano-5-bromo-2-furanacrylic acid, methyl ester

Preferred Name

English

Methyl 2-cyano-3-(5-bromo-2-furyl)acrylate

Systematic Name

English

2-Propenoic acid, 3-(5-bromo-2-furanyl)-2-cyano-, methyl ester

Systematic Name

English

Methyl 3-(5-bromo-2-furanyl)-2-cyano-2-propenoate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901031798

Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025

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CAS

56656-97-4

Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

5374466

Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025

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FDA UNII

KHB3CHK5XU

Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025

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CAS

67449-76-7

Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025

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