Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-, methyl ester

CAS Registry Number®

167626-27-9

CAS Name

Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-, methyl ester

Molecular Formula

C10H9N3O2

Molecular Mass

203.20

Cite this Page

Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=167626-27-9 (retrieved 2024-10-05) (CAS RN: 167626-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9N3O2/c1-15-10(14)8-3-2-4-9(5-8)13-7-11-6-12-13/h2-7H,1H3

InChIKey

InChIKey=NKGYSGGAEUCELQ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C=C(C=CC1)N2C=NC=N2

Canonical SMILES

O=C(OC)C1=CC=CC(=C1)N2N=CN=C2

Other Names for this Substance

  • Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-, methyl ester
  • Methyl 3-(1H-1,2,4-triazol-1-yl)benzoate

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