3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

CAS Registry Number®

175203-24-4

CAS Name

3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Molecular Formula

C13H13BrN2O2

Molecular Mass

309.16

Cite this Page

3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=175203-24-4 (retrieved 2024-11-29) (CAS RN: 175203-24-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(6-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)

InChIKey

InChIKey=HSTGVTRSHDNWHK-UHFFFAOYSA-N

SMILES

C(N1C(C)=C(Br)C(C)=N1)C2=CC(C(O)=O)=CC=C2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)CN2N=C(C(Br)=C2C)C

Other Names for this Substance

  • Benzoic acid, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
  • 3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
  • 3-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid

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