Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester

CAS Registry Number®

1202858-67-0
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CAS Name

Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester

Molecular Formula

C9H8BrNO4

Molecular Mass

274.07

Cite this Page

Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1202858-67-0 (retrieved 2024-09-10) (CAS RN: 1202858-67-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8BrNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3

InChIKey

InChIKey=MAXILNCXDUTLSP-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(N(=O)=O)=C(C)C=C1Br

Canonical SMILES

O=C(OC)C=1C=C(C(=CC1Br)C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester
  • Methyl 2-bromo-4-methyl-5-nitrobenzoate