Cas no 1025699-99-3 (Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate)

Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate structure
1025699-99-3 structure
Product Name:Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No:1025699-99-3
MF:C20H24BNO4
MW:353.21986579895
CID:2109339
Update Time:2023-08-04

Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • ZEPZKCIFPHXIOD-UHFFFAOYSA-N
    • 3-(5-methyl-pyridin-2-yl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
    • Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • Inchi: 1S/C20H24BNO4/c1-13-7-8-17(22-12-13)14-9-15(18(23)24-6)11-16(10-14)21-25-19(2,3)20(4,5)26-21/h7-12H,1-6H3
    • InChI Key: ZEPZKCIFPHXIOD-UHFFFAOYSA-N
    • SMILES: O1B(C2C=C(C(=O)OC)C=C(C3C=CC(C)=CN=3)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 508
  • Topological Polar Surface Area: 57.6

Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Related Literature

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