Cas no 145413-17-8 ((4'-Butyl-[1,1'-biphenyl]-4-yl)boronic acid)

(4'-Butyl-[1,1'-biphenyl]-4-yl)boronic acid structure
145413-17-8 structure
Product Name:(4'-Butyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS No:145413-17-8
MF:C16H19BO2
MW:254.131864786148
CID:823446
PubChem ID:50878571
Update Time:2025-04-19

(4'-Butyl-[1,1'-biphenyl]-4-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4'-BUTYL[1,1'-BIPHENYL]-4-YL)-BORONIC ACID
    • [4-(4-butylphenyl)phenyl]boronic acid
    • 4'-butylbiphenyl-4-ylboronic acid
    • B-(4'-Butyl[1,1'-biphenyl]-4-yl)boronic acid
    • Boronic acid, B-(4'-butyl[1,1'-biphenyl]-4-yl)-
    • 4'-Butyl-4-biphenylboronic acid
    • 145413-17-8
    • (4'-Butyl-[1,1'-biphenyl]-4-yl)boronic acid
    • (4'-Butyl-[1,1'-biphenyl]-4-yl)boronicacid
    • MFCD08275638
    • {4'-butyl-[1,1'-biphenyl]-4-yl}boronic acid
    • (4/'-Butyl[1,1/'-biphenyl]-4-yl)-boronic acid
    • (4'-Butyl[1,1'-biphenyl]-4-yl)boronic acid
    • AKOS005146021
    • SB66791
    • SCHEMBL13454827
    • DB-024677
    • DTXSID60678921
    • 4'-butylbiphenyl-4-boronic acid
    • Inchi: 1S/C16H19BO2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12,18-19H,2-4H2,1H3
    • InChI Key: DKCMBSJGEAEGOE-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1C=CC(=CC=1)CCCC)O

Computed Properties

  • Exact Mass: 253.15147
  • Monoisotopic Mass: 254.1478100g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.09
  • Melting Point: 157 oC
  • PSA: 40.46

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