Cas no 905808-17-5 (2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID)

2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID structure
905808-17-5 structure
Product Name:2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID
CAS No:905808-17-5
MF:C11H8ClNO2S
MW:253.704720497131
CID:994960
PubChem ID:34173301
Update Time:2025-04-20

2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID
    • 2-methyl-4-(3-chloro-phenyl)-thiazole-5-carboxylic acid
    • 1-(3-chlorophenyl)butan-3-one
    • 3-Chlor-benzylaceton
    • 4-(3-chlorophenyl)2-butanone
    • 4-(3-chloro-phenyl)-2-methyl-thiazole-5-carboxylic acid
    • 4-(3-chlorophenyl)-butan-2-one
    • 4-(m-Chlorphenyl)-butanon
    • m-Chlorobenzylaceton
    • AKOS015960389
    • QUEKDZOAFACIFE-UHFFFAOYSA-N
    • 4-(3-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
    • 905808-17-5
    • SCHEMBL1398713
    • DB-338557
    • 4-(3-Chlorophenyl)-2-methylthiazole-5-carboxylic acid
    • Inchi: 1S/C11H8ClNO2S/c1-6-13-9(10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
    • InChI Key: QUEKDZOAFACIFE-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1=C(C(=O)O)SC(C)=N1

Computed Properties

  • Exact Mass: 252.99600
  • Monoisotopic Mass: 252.9964274g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 277
  • 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: 3.5
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 78.43000
  • LogP: 3.47010

2-METHYL-4-(3-CHLORO)PHENYL THIAZOLE-5-CARBOXYLIC ACID Pricemore >>

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