3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12BrNO2
Molecular Weight	270.122
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE

Structure Search

SMILES

COC1=CC(Br)=C(CCC#N)C=C1OC

InChI

InChIKey=PKRKQYZQPMFUJG-UHFFFAOYSA-N

InChI=1S/C11H12BrNO2/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H12BrNO2
Molecular Weight	270.122
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:13:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:13:39 GMT 2025`
Record UNII	HG9MS3XRU5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-268227

Preferred Name

English

3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE

Systematic Name

English

Benzenepropanenitrile, 2-bromo-4,5-dimethoxy-

Systematic Name

English

2-Bromo-4,5-dimethoxybenzenepropanenitrile

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50188746

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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FDA UNII

HG9MS3XRU5

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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CAS

35249-62-8

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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PUBCHEM

320411

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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NSC

268227

Created by admin on Tue Apr 01 20:13:39 GMT 2025 , Edited by admin on Tue Apr 01 20:13:39 GMT 2025

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