Cas no 1065102-51-3 (2-(4-Chlorophenyl)oxazole-4-carboxylic Acid)

2-(4-Chlorophenyl)oxazole-4-carboxylic Acid structure
1065102-51-3 structure
Product Name:2-(4-Chlorophenyl)oxazole-4-carboxylic Acid
CAS No:1065102-51-3
MF:C10H6ClNO3
MW:223.612541675568
MDL:MFCD16698588
CID:2104408
PubChem ID:53377476
Update Time:2024-11-04

2-(4-Chlorophenyl)oxazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Chlorophenyl)oxazole-4-carboxylic Acid
    • SY035715
    • 2-(4-Chlorophenyl)oxazole-4-carboxylicAcid
    • 2-(4-chlorophenyl)-1,3-oxazole-4-carboxylic acid
    • 2-(4-Chlorophenyl)-4-oxazolecarboxylic acid
    • 1065102-51-3
    • MFCD16698588
    • CS-12017
    • AKOS011517968
    • DA-28192
    • CS-0210086
    • MLS-0466677.0001
    • AC1417
    • CHEMBL1983910
    • MDL: MFCD16698588
    • Inchi: 1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
    • InChI Key: AUTVMMYIVCLSMR-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1=NC(C(=O)O)=CO1

Computed Properties

  • Exact Mass: 223.0036207g/mol
  • Monoisotopic Mass: 223.0036207g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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
  • Topological Polar Surface Area: 63.3
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.440±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 418.5±51.0 °C at 760 mmHg
  • Flash Point: 206.9±30.4 °C
  • Solubility: Almost insoluble (0.04 g/l) (25 o C),
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-(4-Chlorophenyl)oxazole-4-carboxylic Acid Security Information

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