Cas no 176593-36-5 (methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate)

methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate structure
176593-36-5 structure
Product Name:methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CAS No:176593-36-5
MF:C11H8ClNO3
MW:237.639122009277
MDL:MFCD02159554
CID:1082073
PubChem ID:3154111
Update Time:2025-07-29

methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
    • Methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
    • METHYL-5-(4-CHLORO PHENYL) ISOXAZOLE-3-CARBOXYLATE
    • AC1MKADG
    • HMS1556B17
    • MolPort-002-005-201
    • STK775639
    • STOCK3S-18177
    • TimTec1_007783
    • Methyl5-(4-chlorophenyl)isoxzole-3-carboxylate
    • F2161-0040
    • DTXSID20390036
    • NCGC00339946-01
    • Isoxazole-3-carboxylic acid, 5-(4-chlorophenyl)-, methyl ester
    • IDI1_033437
    • MFCD02159554
    • EN300-234925
    • AB01332800-02
    • 176593-36-5
    • AKOS000570670
    • BRD-K83971878-001-02-2
    • QDMSFKKRLBUFHN-UHFFFAOYSA-N
    • METHYL5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE
    • 3-Isoxazolecarboxylic acid, 5-(4-chlorophenyl)-, methyl ester
    • methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
    • MDL: MFCD02159554
    • Inchi: 1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
    • InChI Key: QDMSFKKRLBUFHN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1=CC(C(=O)OC)=NO1

Computed Properties

  • Exact Mass: 237.01934
  • Monoisotopic Mass: 237.0192708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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: 2.8
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 396.3±32.0 °C at 760 mmHg
  • Flash Point: 193.5±25.1 °C
  • PSA: 52.33
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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