Cas no 31044-59-4 (Diethoxy(phenyl)borane)

Diethoxy(phenyl)borane structure
Diethoxy(phenyl)borane structure
Product Name:Diethoxy(phenyl)borane
CAS No:31044-59-4
MF:C10H15BO2
MW:178.035903215408
CID:1445229
PubChem ID:5326085
Update Time:2025-04-20

Diethoxy(phenyl)borane Chemical and Physical Properties

Names and Identifiers

    • diethyl phenylboronate
    • boronic acid, B-phenyl-, diethyl ester
    • diethoxy(phenyl)borane
    • diethylphenyl boronic acid
    • phenylboronic acid diethyl ester
    • starbld0026501
    • InChI=1/C10H15BO2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H
    • 31044-59-4
    • SCHEMBL907509
    • CAOIGWWEZIPBGE-UHFFFAOYSA-N
    • Diethoxy(phenyl)borane
    • Inchi: 1S/C10H15BO2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
    • InChI Key: CAOIGWWEZIPBGE-UHFFFAOYSA-N
    • SMILES: O(B(C1C=CC=CC=1)OCC)CC

Computed Properties

  • Exact Mass: 177.12015
  • Monoisotopic Mass: 178.1165099 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 118
  • 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
  • Molecular Weight: 178.04
  • Topological Polar Surface Area: 18.5

Experimental Properties

  • PSA: 18.46
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