chempirical

Phenyl borate

C18H15BO3CAS 1095-03-0290.13 g/mol

Open in Covalent MOL file
OBOO

Properties

Molecular formula
C18H15BO3
Molar mass
290.13 g/mol
Exact mass
290.1114 Da
Melting point
38–40 °C
Boiling point
141.6–148 °C
logP
4.21Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
1095-03-0
SMILES
c1ccc(OB(Oc2ccccc2)Oc2ccccc2)cc1
InChIKey
MDCWDBMBZLORER-UHFFFAOYSA-N
InChI
InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Boric acid (H3BO3), triphenyl ester
  • Phenyl borate ((C6H5O)3B)
  • Triphenyl borate
  • Triphenoxyboron
  • Triphenoxyborane
  • Boron triphenoxide
  • NSC 806

Work with Phenyl borate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyl ether101-84-850 % similar 1,4-Diphenoxybenzene3061-36-747 % similar Anisole100-66-343 % similar 1,2-Diphenoxyethane104-66-543 % similar Biphenyl-diphenyl ether mixture8004-13-543 % similar 1,3-Diphenoxybenzene3379-38-241 % similar (2-Phenoxyphenyl)boronic acid108238-09-139 % similar Diphenyl carbonate102-09-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook