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

CAS Registry Number®

682757-51-3

CAS Name

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

Molecular Formula

C8H11BrN2O2

Molecular Mass

247.09

Cite this Page

4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=682757-51-3 (retrieved 2024-11-22) (CAS RN: 682757-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H11BrN2O2/c1-8(2,3)11-4-5(9)6(10-11)7(12)13/h4H,1-3H3,(H,12,13)

InChIKey

InChIKey=VXTHTIHMMDDRIY-UHFFFAOYSA-N

SMILES

C(C)(C)(C)N1N=C(C(O)=O)C(Br)=C1

Canonical SMILES

O=C(O)C1=NN(C=C1Br)C(C)(C)C

Other Names for this Substance

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

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