3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

CAS Registry Number®

857284-23-2

CAS Name

3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Molecular Formula

C10H9N3O2

Molecular Mass

203.20

Cite this Page

3-(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=857284-23-2 (retrieved 2024-12-19) (CAS RN: 857284-23-2).  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)9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)

InChIKey

InChIKey=XIJPFLBFQZEFKY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(1H-1,2,4-triazol-1-ylmethyl)-
  • 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
  • 3-[1,2,4]Triazol-1-ylmethyl-benzoic acid

CAS INSIGHTSTM
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