Cas no 114660-03-6 (Benzene, 1-bromo-3-(phenylsulfonyl)-)

Benzene, 1-bromo-3-(phenylsulfonyl)- structure
114660-03-6 structure
Product Name:Benzene, 1-bromo-3-(phenylsulfonyl)-
CAS No:114660-03-6
MF:C12H9BrO2S
MW:297.167661428452
MDL:MFCD15527533
CID:1202547
PubChem ID:640920
Update Time:2025-04-20

Benzene, 1-bromo-3-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-3-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-3-bromobenzene
    • 1-bromo-3-(phenylsulfonyl)benzene
    • InChI=1/C12H9BrO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9
    • DTXSID90348822
    • AT13310
    • SY284828
    • 3-Phenylsulfonylbromobenzene
    • MFCD15527533
    • CS-0376378
    • DB-162375
    • 114660-03-6
    • SCHEMBL3831593
    • MDL: MFCD15527533
    • Inchi: 1S/C12H9BrO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H
    • InChI Key: UKJFYKYKLBOEFP-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 295.95067
  • Monoisotopic Mass: 295.95066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 314
  • 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: 3.6
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14

Benzene, 1-bromo-3-(phenylsulfonyl)- Pricemore >>

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