4-Bromo-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid

CAS Registry Number®

685513-52-4

CAS Name

4-Bromo-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Molecular Formula

C9H13BrN2O2

Molecular Mass

261.12

Cite this Page

4-Bromo-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=685513-52-4 (retrieved 2024-11-25) (CAS RN: 685513-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H13BrN2O2/c1-9(2,3)7-5(10)6(8(13)14)12(4)11-7/h1-4H3,(H,13,14)

InChIKey

InChIKey=ZJNCIKRITSLLBL-UHFFFAOYSA-N

SMILES

BrC=1C(C(C)(C)C)=NN(C)C1C(O)=O

Canonical SMILES

O=C(O)C1=C(Br)C(=NN1C)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(1,1-dimethylethyl)-1-methyl-
  • 4-Bromo-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid

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