Benzoic acid, 3-bromo-5-(cyanomethyl)-, methyl ester

CAS Registry Number®

878741-84-5
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CAS Name

Benzoic acid, 3-bromo-5-(cyanomethyl)-, methyl ester

Molecular Formula

C10H8BrNO2

Molecular Mass

254.08

Cite this Page

Benzoic acid, 3-bromo-5-(cyanomethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=878741-84-5 (retrieved 2024-09-07) (CAS RN: 878741-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)8-4-7(2-3-12)5-9(11)6-8/h4-6H,2H2,1H3

InChIKey

InChIKey=HHMMDHGCCRYVID-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC=1C=C(Br)C=C(C1)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-bromo-5-(cyanomethyl)-, methyl ester
  • Methyl 3-bromo-5-(cyanomethyl)benzoate