Cas no 921205-11-0 (5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine)

5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine structure
921205-11-0 structure
Product Name:5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CAS No:921205-11-0
MF:C16H19BN2O2
MW:282.145263910294
CID:745341
Update Time:2023-08-03

5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
    • 5-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrimidine
    • KVUPQJBGKAOJSZ-UHFFFAOYSA-N
    • 5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
    • Inchi: 1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)14-7-5-6-12(8-14)13-9-18-11-19-10-13/h5-11H,1-4H3
    • InChI Key: KVUPQJBGKAOJSZ-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC=C(C3=CN=CN=C3)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 353
  • Topological Polar Surface Area: 44.2

5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine Related Literature

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