Cas no 1142947-49-6 ((5-Pentanoyl-1-benzothiophen-2-yl)boronic acid)

(5-Pentanoyl-1-benzothiophen-2-yl)boronic acid structure
1142947-49-6 structure
Product Name:(5-Pentanoyl-1-benzothiophen-2-yl)boronic acid
CAS No:1142947-49-6
MF:C13H15BO3S
MW:262.132402658463
CID:2153380
Update Time:2023-08-05

(5-Pentanoyl-1-benzothiophen-2-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • 5-pentanoylbenzo[b]thiophen-2-yl-2-boronic acid
    • (5-Pentanoyl-1-benzothiophen-2-yl)boronic acid
    • Inchi: 1S/C13H15BO3S/c1-2-3-4-11(15)9-5-6-12-10(7-9)8-13(18-12)14(16)17/h5-8,16-17H,2-4H2,1H3
    • InChI Key: ASEKSLPBDCZGNO-UHFFFAOYSA-N
    • SMILES: S1C(B(O)O)=CC2=C1C=CC(=C2)C(CCCC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 298
  • Topological Polar Surface Area: 85.8
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