Cas no 62567-89-9 (Methanone, (3,5-dichloro-2-nitrophenyl)phenyl-)

Methanone, (3,5-dichloro-2-nitrophenyl)phenyl- structure
62567-89-9 structure
Product Name:Methanone, (3,5-dichloro-2-nitrophenyl)phenyl-
CAS No:62567-89-9
MF:C13H7Cl2NO3
MW:296.105581521988
CID:439922
PubChem ID:12315671
Update Time:2025-04-19

Methanone, (3,5-dichloro-2-nitrophenyl)phenyl- Chemical and Physical Properties

Names and Identifiers

    • (3,5-dichloro-2-nitrophenyl)-phenylmethanone
    • Methanone, (3,5-dichloro-2-nitrophenyl)phenyl-
    • DTXSID20487475
    • 62567-89-9
    • Inchi: 1S/C13H7Cl2NO3/c14-9-6-10(12(16(18)19)11(15)7-9)13(17)8-4-2-1-3-5-8/h1-7H
    • InChI Key: GXCLNHAAFGSHMT-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(C(C2C=CC=CC=2)=O)=C1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 294.98041
  • Monoisotopic Mass: 294.9802985g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 352
  • 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: 4.3
  • Topological Polar Surface Area: 62.9?2

Experimental Properties

  • PSA: 60.21
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