chempirical

2-Cyanophenylboronic acid

C7H6BNO2CAS 138642-62-3146.94 g/mol

Open in Covalent MOL file
NBHOOH
Boronic acidNitrile

Properties

Molecular formula
C7H6BNO2
Molar mass
146.94 g/mol
Exact mass
147.0492 Da
logP
-0.76Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
138642-62-3
SMILES
N#Cc1ccccc1B(O)O
InChIKey
NPLZNDDFVCGRAG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(2-cyanophenyl)-
  • Boronic acid, (2-cyanophenyl)-
  • B-(2-Cyanophenyl)boronic acid
  • 2-Cyanobenzeneboronic acid
  • [m-Cyanophenyl-4-yl]boronic acid

Work with 2-Cyanophenylboronic 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

Phthalonitrile91-15-652 % similar 2-Hydroxybenzonitrile611-20-146 % similar 2-Methylphenylboronic acid16419-60-645 % similar B-(2-Aminophenyl)boronic acid5570-18-345 % similar 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile214360-47-144 % similar 1-Naphthylboronic acid13922-41-343 % similar 2-Bromobenzonitrile2042-37-743 % similar 2-Aminobenzonitrile1885-29-641 % similar

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

Same formula

4-Cyanophenylboronic acid126747-14-6 3-Cyanophenylboronic acid150255-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook