Cas no 1052714-35-8 (5-Bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid)

5-Bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid structure
1052714-35-8 structure
Product Name:5-Bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
CAS No:1052714-35-8
MF:C11H5BrF2N2O2
MW:315.070408582687
CID:2124756
Update Time:2023-08-04

5-Bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
    • IISWTCWEZOGKRD-UHFFFAOYSA-N
    • 4-Pyrimidinecarboxylic acid, 5-bromo-2-(2,6-difluorophenyl)-
    • 5-Bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
    • Inchi: 1S/C11H5BrF2N2O2/c12-5-4-15-10(16-9(5)11(17)18)8-6(13)2-1-3-7(8)14/h1-4H,(H,17,18)
    • InChI Key: IISWTCWEZOGKRD-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C2C(=CC=CC=2F)F)=NC=1C(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 311
  • Topological Polar Surface Area: 63.1
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