Cas no 1235450-86-8 (5-Bromo-2-ethylpyrimidine-4-carboxylic acid)

5-Bromo-2-ethylpyrimidine-4-carboxylic acid structure
1235450-86-8 structure
Product Name:5-Bromo-2-ethylpyrimidine-4-carboxylic acid
CAS No:1235450-86-8
MF:C7H7BrN2O2
MW:231.046680688858
MDL:MFCD11870588
CID:842756
PubChem ID:66977702
Update Time:2025-04-19

5-Bromo-2-ethylpyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-ethylpyrimidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylic acid, 5-bromo-2-ethyl-
    • 1235450-86-8
    • SY105448
    • 5-Bromo-2-ethylpyrimidine-4-carboxylicacid
    • SB60744
    • DA-46903
    • DS-5527
    • CS-0152492
    • SCHEMBL1284339
    • MFCD11870588
    • FTBWYCGHGSATOE-UHFFFAOYSA-N
    • DTXSID00736135
    • AKOS016012451
    • C71928
    • 5-Bromo-2-ethyl-4-pyrimidinecarboxylic acid, AldrichCPR
    • MDL： MFCD11870588
    • Inchi： 1S/C7H7BrN2O2/c1-2-5-9-3-4(8)6(10-5)7(11)12/h3H,2H2,1H3,(H,11,12)
    • InChI Key： FTBWYCGHGSATOE-UHFFFAOYSA-N
    • SMILES： BrC1C=NC(CC)=NC=1C(=O)O

Computed Properties

  • Exact Mass: 229.96900
  • Monoisotopic Mass: 229.96909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • PSA: 63.08000
  • LogP: 1.49970

5-Bromo-2-ethylpyrimidine-4-carboxylic acid Pricemore >>

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5-Bromo-2-ethylpyrimidine-4-carboxylic acid Production Method

5-Bromo-2-ethylpyrimidine-4-carboxylic acid Related Literature

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