5-Bromo-2-(1,1-dimethylethyl)-4-pyrimidinecarboxylic acid

CAS Registry Number®

59950-52-6
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CAS Name

5-Bromo-2-(1,1-dimethylethyl)-4-pyrimidinecarboxylic acid

Molecular Formula

C9H11BrN2O2

Molecular Mass

259.10

Cite this Page

5-Bromo-2-(1,1-dimethylethyl)-4-pyrimidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59950-52-6 (retrieved 2024-07-06) (CAS RN: 59950-52-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H11BrN2O2/c1-9(2,3)8-11-4-5(10)6(12-8)7(13)14/h4H,1-3H3,(H,13,14)

InChIKey

InChIKey=QBCWSAPYKRVEIH-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=NC(C(C)(C)C)=NC=C1Br

Canonical SMILES

O=C(O)C1=NC(=NC=C1Br)C(C)(C)C

Other Names for this Substance

  • 4-Pyrimidinecarboxylic acid, 5-bromo-2-(1,1-dimethylethyl)-
  • 5-Bromo-2-(1,1-dimethylethyl)-4-pyrimidinecarboxylic acid
  • 2-(1,1-Dimethylethyl)-5-bromopyrimidine-4-carboxylic acid
  • 5-Bromo-2-tert-butylpyrimidine-4-carboxylic acid