Cas no 41051-97-2 (5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid)

5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid structure
41051-97-2 structure
Product Name:5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid
CAS No:41051-97-2
MF:C14H8ClNO3
MW:273.671222686768
CID:5703646
PubChem ID:623480
Update Time:2023-10-15

5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • AKOS015957291
    • 5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylicacid
    • 5-Chloro-3-phenylbenzo[c]isoxazole-6-carboxylic acid
    • 2,1-Benzisoxazole-6-carboxylic acid, 5-chloro-3-phenyl-
    • 5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid #
    • F2167-0178
    • AODFWNQXKGIUQZ-UHFFFAOYSA-N
    • 5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid
    • CS-0269788
    • EN300-237146
    • 5-chloro-3-phenyl-2,1-benzoxazole-6-carboxylic acid
    • 41051-97-2
    • Inchi: 1S/C14H8ClNO3/c15-11-6-10-12(7-9(11)14(17)18)16-19-13(10)8-4-2-1-3-5-8/h1-7H,(H,17,18)
    • InChI Key: AODFWNQXKGIUQZ-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)O)=CC2C(C=1)=C(C1C=CC=CC=1)ON=2

Computed Properties

  • Exact Mass: 273.0192708g/mol
  • Monoisotopic Mass: 273.0192708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 346
  • 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: 63.3?2

Experimental Properties

  • Density: 1.445±0.06 g/cm3(Predicted)
  • Boiling Point: 510.2±45.0 °C(Predicted)
  • pka: 2.08±0.30(Predicted)

5-Chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid Pricemore >>

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