Cas no 3506-73-8 (4-(3-chlorophenyl)butan-2-one)

4-(3-chlorophenyl)butan-2-one structure
4-(3-chlorophenyl)butan-2-one structure
Product Name:4-(3-chlorophenyl)butan-2-one
CAS No:3506-73-8
MF:C10H11ClO
MW:182.646742105484
MDL:MFCD11553383
CID:919806
PubChem ID:260432
Update Time:2025-04-19

4-(3-chlorophenyl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(3-chlorophenyl)butan-2-one
    • 1-(3-chlorophenyl)butan-3-one
    • 3-Chlor-benzylaceton
    • 4-(3-chlorophenyl)2-butanone
    • 4-(3-chlorophenyl)-butan-2-one
    • 4-(3-chloro-phenyl)-butan-2-one
    • 4-(m-Chlorphenyl)-butanon
    • AC1L6357
    • AC1Q3M40
    • AR-1F6077
    • CTK4H3481
    • m-Chlorobenzylaceton
    • NSC91714
    • SureCN1848
    • AKOS009391188
    • NSC-91714
    • DTXSID80293716
    • SCHEMBL1848
    • 3506-73-8
    • NS-01620
    • OKHTXMYUDWHGOC-UHFFFAOYSA-N
    • DS-005045
    • starbld0036941
    • CS-0254015
    • EN300-1229343
    • 4-(3-chlorophenyl)-2-butanone
    • MFCD11553383
    • NSC 91714
    • MDL: MFCD11553383
    • Inchi: 1S/C10H11ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,5-6H2,1H3
    • InChI Key: OKHTXMYUDWHGOC-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)CCC(C)=O

Computed Properties

  • Exact Mass: 182.04993
  • Monoisotopic Mass: 182.0498427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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: 2.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

4-(3-chlorophenyl)butan-2-one Pricemore >>

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