Methyl 3-(1H-tetrazol-1-yl)benzoate

CAS Registry Number®

309279-57-0

CAS Name

Methyl 3-(1H-tetrazol-1-yl)benzoate

Molecular Formula

C9H8N4O2

Molecular Mass

204.19

Cite this Page

Methyl 3-(1H-tetrazol-1-yl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=309279-57-0 (retrieved 2025-03-11) (CAS RN: 309279-57-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8N4O2/c1-15-9(14)7-3-2-4-8(5-7)13-6-10-11-12-13/h2-6H,1H3

InChIKey

InChIKey=KBAUVVGYZQRNKV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(1H-tetrazol-1-yl)-, methyl ester
  • Methyl 3-(1H-tetrazol-1-yl)benzoate

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