Cas no 92545-95-4 (3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid)

3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid structure
92545-95-4 structure
Product Name:3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid
CAS No:92545-95-4
MF:C11H8ClNO3
MW:237.639122009277
MDL:MFCD07376075
CID:735928
PubChem ID:24259594
Update Time:2025-04-19

3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylic acid, 3-(3-chlorophenyl)-5-methyl-
    • 3-(3-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
    • 3-(3-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
    • 92545-95-4
    • BYJATVZZRGMSPH-UHFFFAOYSA-N
    • CS-0238377
    • 3-(3-chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid
    • SCHEMBL1931107
    • 3-(3-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID
    • MFCD07376075
    • 3-(3-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLICACID
    • DTXSID60640542
    • AKOS013475920
    • AS-38316
    • Z1201049381
    • EN300-194253
    • 3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid
    • MDL： MFCD07376075
    • Inchi： 1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
    • InChI Key： BYJATVZZRGMSPH-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1)C1C(C(=O)O)=C(C)ON=1

Computed Properties

  • Exact Mass: 237.0192708g/mol
  • Monoisotopic Mass: 237.0192708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 274
  • 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: 2.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 395.2±37.0 °C at 760 mmHg
  • Flash Point: 192.8±26.5 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid Security Information

3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid Pricemore >>

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