Cas no 1240600-64-9 (2-chloro-5-methyloxazole-4-carboxylic acid)

2-chloro-5-methyloxazole-4-carboxylic acid structure
1240600-64-9 structure
Product Name:2-chloro-5-methyloxazole-4-carboxylic acid
CAS No:1240600-64-9
MF:C5H4ClNO3
MW:161.543160438538
CID:5098458
PubChem ID:53406062
Update Time:2024-03-01

2-chloro-5-methyloxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-methyloxazole-4-carboxylic acid
    • Inchi: 1S/C5H4ClNO3/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H,8,9)
    • InChI Key: SIFMSYWAVSUUSR-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(O)=O)N=C1Cl

Computed Properties

  • Exact Mass: 160.9879707g/mol
  • Monoisotopic Mass: 160.9879707g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 152
  • 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: 63.3?2

2-chloro-5-methyloxazole-4-carboxylic acid Pricemore >>

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