1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-

CAS Registry Number®

959578-21-3
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CAS Name

1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-

Molecular Formula

C12H11BrN2O2

Molecular Mass

295.13

Cite this Page

1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=959578-21-3 (retrieved 2024-06-23) (CAS RN: 959578-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H,16,17)

InChIKey

InChIKey=ACBMQBBYLOEXOT-UHFFFAOYSA-N

SMILES

CC=1N(N=C(C)C1C(O)=O)C2=C(Br)C=CC=C2

Canonical SMILES

O=C(O)C=1C(=NN(C=2C=CC=CC2Br)C1C)C

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-
  • 1-(2-Bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

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