3-Bromo-4-(2H-tetrazol-5-yl)benzoic acid

CAS Registry Number®

1131615-11-6
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CAS Name

3-Bromo-4-(2H-tetrazol-5-yl)benzoic acid

Molecular Formula

C8H5BrN4O2

Molecular Mass

269.05

Cite this Page

3-Bromo-4-(2H-tetrazol-5-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131615-11-6 (retrieved 2024-09-09) (CAS RN: 1131615-11-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H5BrN4O2/c9-6-3-4(8(14)15)1-2-5(6)7-10-12-13-11-7/h1-3H,(H,14,15)(H,10,11,12,13)

InChIKey

InChIKey=PPTCTJHIJVJYRQ-UHFFFAOYSA-N

SMILES

BrC1=C(C=CC(C(O)=O)=C1)C=2NN=NN2

Canonical SMILES

O=C(O)C=1C=CC(=C(Br)C1)C2=NN=NN2

Other Names for this Substance

  • Benzoic acid, 3-bromo-4-(2H-tetrazol-5-yl)-
  • 3-Bromo-4-(2H-tetrazol-5-yl)benzoic acid