Cas no 885273-28-9 (3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol)

3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol structure
885273-28-9 structure
Product Name:3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol
CAS No:885273-28-9
MF:C13H8ClNO2
MW:245.661122322083
MDL:MFCD06739122
CID:710996
PubChem ID:135589655
Update Time:2024-10-26

3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazol-6-ol,3-(4-chlorophenyl)-
    • 3-(4-chlorophenyl)-2H-1,2-benzoxazol-6-one
    • 3-(4-Chloro-phenyl)-benzo[d]isoxazol-6-ol
    • 3-(4-CHLOROPHENYL)BENZO[D]ISOXAZOL-6-OL,
    • 1,2-Benzisoxazol-6-ol,3-(4-chlorophenyl)
    • 3-(4-chlorophenyl)-6-hydroxy-1,2-benzisoxazole
    • 3-(4-Chlorophenyl)-1,2-benzisoxazol-6-ol (ACI)
    • 3-(4-Chlorophenyl)benzo[d]isoxazol-6-ol
    • AB28648
    • 3-(4-CHLOROPHENYL)-1,2-BENZOXAZOL-6-OL
    • CS-0341559
    • XNRZCAJQNMILBF-UHFFFAOYSA-N
    • DB-077505
    • 3-(4-chloropheyl)-6-hydroxy-1,2-benzisoxazole
    • SCHEMBL4745564
    • 885273-28-9
    • DTXSID70554323
    • MFCD06739122
    • 3-(4-Chlorophenyl)-1,2-benzoxazol-6(2H)-one
    • 3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol
    • MDL: MFCD06739122
    • Inchi: 1S/C13H8ClNO2/c14-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-15-13/h1-7,16H
    • InChI Key: XNRZCAJQNMILBF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C2C3C(=CC(=CC=3)O)ON=2)=CC=1

Computed Properties

  • Exact Mass: 245.02400
  • Monoisotopic Mass: 245.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 442
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.8
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26000
  • LogP: 3.85380

3-(4-Chloro-Phenyl)-BenzoDIsoxazol-6-Ol Pricemore >>

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