3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid

CAS Registry Number®

167627-00-1
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CAS Name

3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid

Molecular Formula

C9H8N4O2

Molecular Mass

204.19

Cite this Page

3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=167627-00-1 (retrieved 2024-09-15) (CAS RN: 167627-00-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8N4O2/c10-7-3-6(9(14)15)1-2-8(7)13-5-11-4-12-13/h1-5H,10H2,(H,14,15)

InChIKey

InChIKey=CPNOTQAFLGSXAF-UHFFFAOYSA-N

SMILES

NC1=C(C=CC(C(O)=O)=C1)N2C=NC=N2

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-
  • 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid