Cas no 1256355-78-8 (4-(3-Cyanophenylmethoxy)phenylboronic acid)

4-(3-Cyanophenylmethoxy)phenylboronic acid structure
1256355-78-8 structure
Product Name:4-(3-Cyanophenylmethoxy)phenylboronic acid
CAS No:1256355-78-8
MF:C14H12BNO3
MW:253.060983657837
MDL:MFCD12558051
CID:828664
PubChem ID:43327864
Update Time:2025-04-19

4-(3-Cyanophenylmethoxy)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-((3-Cyanobenzyl)oxy)phenyl)boronic acid
    • 4-(3-CYANOPHENYLMETHOXY)PHENYLBORONIC ACID
    • {4-[(3-Cyanophenyl)methoxy]phenyl}boronic acid
    • AKOS009317514
    • 1256355-78-8
    • CS-0174579
    • [4-[(3-cyanophenyl)methoxy]phenyl]boronic acid
    • DTXSID70655844
    • SCHEMBL2555779
    • (4-((3-Cyanobenzyl)oxy)phenyl)boronicacid
    • 4-(3-Cyanophenylmethoxy)phenylboronic acid
    • MDL： MFCD12558051
    • Inchi： 1S/C14H12BNO3/c16-9-11-2-1-3-12(8-11)10-19-14-6-4-13(5-7-14)15(17)18/h1-8,17-18H,10H2
    • InChI Key： WXDTXGCOBVDLQR-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(B(O)O)=CC=1)CC1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 253.09100
  • Monoisotopic Mass: 253.0910234g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 320
  • 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: 73.5?2

Experimental Properties

  • PSA: 73.48000
  • LogP: 0.81708

4-(3-Cyanophenylmethoxy)phenylboronic acid Pricemore >>

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