Cas no 1135-71-3 (Methanone,(1-chlorocyclohexyl)phenyl-)

Methanone,(1-chlorocyclohexyl)phenyl- structure
1135-71-3 structure
Product Name:Methanone,(1-chlorocyclohexyl)phenyl-
CAS No:1135-71-3
MF:C13H15ClO
MW:222.710602998734
CID:228163
PubChem ID:344796
Update Time:2025-04-19

Methanone,(1-chlorocyclohexyl)phenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone,(1-chlorocyclohexyl)phenyl-
    • (1-chlorocyclohexyl)-phenylmethanone
    • AC1L81DM
    • NSC401906
    • NSC-401906
    • SureCN1446381
    • SCHEMBL1446381
    • DTXSID80322717
    • (1-Chlorocyclohexyl)(phenyl)methanone
    • 1135-71-3
    • Methanone, (1-chlorocyclohexyl)phenyl-
    • Inchi: 1S/C13H15ClO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
    • InChI Key: JWUJLPDSOOZUMG-UHFFFAOYSA-N
    • SMILES: ClC1(C(C2C=CC=CC=2)=O)CCCCC1

Computed Properties

  • Exact Mass: 222.08125
  • Monoisotopic Mass: 222.0811428g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 225
  • 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: 3.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
  • LogP: 3.81100
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