Cas no 1217500-99-6 (4-(Isobutylsulfonyl)phenylboronic acid)

4-(Isobutylsulfonyl)phenylboronic acid structure
1217500-99-6 structure
Product Name:4-(Isobutylsulfonyl)phenylboronic acid
CAS No:1217500-99-6
MF:C10H15BO4S
MW:242.099702119827
MDL:MFCD12546545
CID:827753
PubChem ID:46739631
Update Time:2025-04-19

4-(Isobutylsulfonyl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-(Isobutylsulfonyl)phenyl)boronic acid
    • 4-(Isobutylsulfonyl)phenylboronic acid
    • BS-21066
    • AKOS015837535
    • CS-0174633
    • (4-(Isobutylsulfonyl)phenyl)boronicacid
    • MFCD12546545
    • F87079
    • [4-(2-methylpropylsulfonyl)phenyl]boronic acid
    • DTXSID70675224
    • Boronic acid, B-[4-[(2-methylpropyl)sulfonyl]phenyl]-
    • WGYQGDKMBFOTGS-UHFFFAOYSA-N
    • 1217500-99-6
    • DB-108426
    • [4-(2-Methylpropane-1-sulfonyl)phenyl]boronic acid
    • 4-(2-methylpropanesulfonyl)phenylboronic acid
    • [4-(2-methylpropanesulfonyl)phenyl]boronic acid
    • MDL： MFCD12546545
    • Inchi： 1S/C10H15BO4S/c1-8(2)7-16(14,15)10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
    • InChI Key： WGYQGDKMBFOTGS-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(B(O)O)=CC=1)(CC(C)C)(=O)=O

Computed Properties

  • Exact Mass: 242.07800
  • Monoisotopic Mass: 242.0784103g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 299
  • 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
  • Topological Polar Surface Area: 83?2

Experimental Properties

  • PSA: 82.98000
  • LogP: 0.87690

4-(Isobutylsulfonyl)phenylboronic acid Pricemore >>

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abcr
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