3-Bromo-4-nitrobenzeneacetic acid

CAS Registry Number®

90004-95-8
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CAS Name

3-Bromo-4-nitrobenzeneacetic acid

Molecular Formula

C8H6BrNO4

Molecular Mass

260.04

Cite this Page

3-Bromo-4-nitrobenzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90004-95-8 (retrieved 2024-09-06) (CAS RN: 90004-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117-118 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6BrNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)

InChIKey

InChIKey=GVRPKTFVUMNIFC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC1=CC=C(C(Br)=C1)N(=O)=O

Other Names for this Substance

  • Benzeneacetic acid, 3-bromo-4-nitro-
  • Acetic acid, (3-bromo-4-nitrophenyl)-
  • 3-Bromo-4-nitrobenzeneacetic acid
  • 3-Bromo-4-nitrophenylacetic acid
  • 2-(3-Bromo-4-nitrophenyl)acetic acid