Cas no 832114-38-2 ([5-(Cyclopropylcarbamoyl)-2-methylphenyl]boronic acid)

[5-(Cyclopropylcarbamoyl)-2-methylphenyl]boronic acid structure
832114-38-2 structure
Product Name:[5-(Cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CAS No:832114-38-2
MF:C11H14BNO3
MW:219.044763088226
CID:676170
Update Time:2023-08-03

[5-(Cyclopropylcarbamoyl)-2-methylphenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [5-[(cyclopropylamino)carbonyl]-2-methylphenyl]-
    • [5-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
    • [5-(Cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
    • Inchi: 1S/C11H14BNO3/c1-7-2-3-8(6-10(7)12(15)16)11(14)13-9-4-5-9/h2-3,6,9,15-16H,4-5H2,1H3,(H,13,14)
    • InChI Key: XVQPEKNAGZAAEV-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=C(B(O)O)C=1)NC1CC1

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 268
  • Topological Polar Surface Area: 69.6
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