5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, methyl ester

CAS Registry Number®

887580-16-7
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CAS Name

5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, methyl ester

Molecular Formula

C12H9ClN2O2

Molecular Mass

248.67

Cite this Page

5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=887580-16-7 (retrieved 2024-09-03) (CAS RN: 887580-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H9ClN2O2/c1-17-12(16)9-7-14-11(15-10(9)13)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

InChIKey=CFHSQIFEGKNHQK-UHFFFAOYSA-N

SMILES

ClC1=NC(=NC=C1C(OC)=O)C2=CC=CC=C2

Canonical SMILES

O=C(OC)C1=CN=C(N=C1Cl)C=2C=CC=CC2

Other Names for this Substance

  • 5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, methyl ester
  • Methyl 4-chloro-2-phenylpyrimidine-5-carboxylate