Cas no 1429664-97-0 (B-(3-methyl-5-isoquinolinyl)Boronic acid)

B-(3-methyl-5-isoquinolinyl)Boronic acid structure
1429664-97-0 structure
Product Name:B-(3-methyl-5-isoquinolinyl)Boronic acid
CAS No:1429664-97-0
MF:C10H10BNO2
MW:187.002902507782
MDL:MFCD22689729
CID:2108461
Update Time:2023-11-19

B-(3-methyl-5-isoquinolinyl)Boronic acid Chemical and Physical Properties

Names and Identifiers

    • B-(3-methyl-5-isoquinolinyl)Boronic acid
    • (3-Methylisoquinolin-5-yl)boronic acid
    • Boronic acid, B-(3-methyl-5-isoquinolinyl)-
    • CID 119086201
    • MDL: MFCD22689729
    • Inchi: 1S/C10H10BNO2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11(13)14/h2-6,13-14H,1H3
    • InChI Key: ORTFKYYHJWWTAY-UHFFFAOYSA-N
    • SMILES: OB(C1=CC=CC2=CN=C(C)C=C21)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 201
  • Topological Polar Surface Area: 53.4

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Predicted)
  • Boiling Point: 412.3±37.0 °C(Predicted)
  • pka: 7.87±0.30(Predicted)

B-(3-methyl-5-isoquinolinyl)Boronic acid Pricemore >>

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