3-Bromo-4-methyl-5-nitrobenzonitrile

CAS Registry Number®

1082041-95-9
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CAS Name

3-Bromo-4-methyl-5-nitrobenzonitrile

Molecular Formula

C8H5BrN2O2

Molecular Mass

241.04

Cite this Page

3-Bromo-4-methyl-5-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1082041-95-9 (retrieved 2024-09-07) (CAS RN: 1082041-95-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H5BrN2O2/c1-5-7(9)2-6(4-10)3-8(5)11(12)13/h2-3H,1H3

InChIKey

InChIKey=BCEZUDAZGZYEIW-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C)C(Br)=CC(C#N)=C1

Canonical SMILES

N#CC=1C=C(Br)C(=C(C1)N(=O)=O)C

Other Names for this Substance

  • Benzonitrile, 3-bromo-4-methyl-5-nitro-
  • 3-Bromo-4-methyl-5-nitrobenzonitrile