chempirical

Biphenyl-3-boronic acid

C12H11BO2CAS 5122-95-2198.03 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C12H11BO2
Molar mass
198.03 g/mol
Exact mass
198.0852 Da
logP
1.03Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5122-95-2
SMILES
B(C1=CC(=CC=C1)C2=CC=CC=C2)(O)O
InChIKey
GOXICVKOZJFRMB-UHFFFAOYSA-N
InChI
InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H

Weigh it out

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

Names and synonyms

1 names
  • (3-Phenylphenyl)boronic acid

Work with Biphenyl-3-boronic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3,5-Diphenylphenyl)boronic acid128388-54-572 % similar 3-(Naphthalene-2-yl)phenylboronic acid870774-29-171 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-169 % similar (6-Phenylnaphthalen-2-yl)boronic acid876442-90-968 % similar 1,3-Benzenediboronic acid4612-28-665 % similar (3-(Pyridin-3-yl)phenyl)boronic acid351422-72-561 % similar 3-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)881913-20-861 % similar Phenylboronic acid98-80-661 % similar

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

Same formula

2-Biphenylboronic acid4688-76-0 4-Biphenylboronic acid5122-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook