3-(2-Chloro-4-pyrimidinyl)benzoic acid

CAS Registry Number®

937271-47-1
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CAS Name

3-(2-Chloro-4-pyrimidinyl)benzoic acid

Molecular Formula

C11H7ClN2O2

Molecular Mass

234.64

Cite this Page

3-(2-Chloro-4-pyrimidinyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=937271-47-1 (retrieved 2024-09-07) (CAS RN: 937271-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H7ClN2O2/c12-11-13-5-4-9(14-11)7-2-1-3-8(6-7)10(15)16/h1-6H,(H,15,16)

InChIKey

InChIKey=BDGHZCIREYKVKH-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1)C2=NC(Cl)=NC=C2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C2=NC(Cl)=NC=C2

Other Names for this Substance

  • Benzoic acid, 3-(2-chloro-4-pyrimidinyl)-
  • 3-(2-Chloro-4-pyrimidinyl)benzoic acid
  • 3-(2-Chloropyrimidin-4-yl)benzoic acid