Cas no 163496-41-1 (Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester)

Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester structure
163496-41-1 structure
Product Name:Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester
CAS No:163496-41-1
MF:C11H13BrO4S
MW:321.187521696091
CID:1346963
PubChem ID:43378400
Update Time:2025-04-20

Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester
    • methyl 4-(4-bromobenzenesulfonyl)butanoate
    • methyl 4-(4-bromophenyl)sulfonylbutanoate
    • AKOS005831392
    • Z415717318
    • EN300-72668
    • C11H13BrO4S
    • G44451
    • 163496-41-1
    • methyl4-(4-bromobenzenesulfonyl)butanoate
    • CS-0259227
    • Inchi: 1S/C11H13BrO4S/c1-16-11(13)3-2-8-17(14,15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3
    • InChI Key: KUWMYOYBXPDNOT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)S(CCCC(=O)OC)(=O)=O

Computed Properties

  • Exact Mass: 319.97179
  • Monoisotopic Mass: 319.97179g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 339
  • 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
  • Topological Polar Surface Area: 68.8?2

Experimental Properties

  • PSA: 60.44

Butanoic acid, 4-[(4-bromophenyl)sulfonyl]-, methyl ester Pricemore >>

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