4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

CAS Registry Number®

160388-54-5

CAS Name

4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Molecular Formula

C10H9N3O2

Molecular Mass

203.20

Cite this Page

4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=160388-54-5 (retrieved 2024-12-02) (CAS RN: 160388-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9N3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)

InChIKey

InChIKey=DJXUEFGFCMIONN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CN2N=CN=C2

Other Names for this Substance

  • Benzoic acid, 4-(1H-1,2,4-triazol-1-ylmethyl)-
  • 4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

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