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

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3-Borono-2-fluorobenzonitrile957121-05-067 % similar 2-Cyanopyridin-3-ylboronic acid874290-88-753 % similar Phthalonitrile91-15-652 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-247 % similar (2-Bromophenyl)boronic acid244205-40-146 % similar 2-Hydroxybenzonitrile611-20-146 % similar (2-Hydroxyphenyl)boronic acid89466-08-046 % similar 2-Methylphenylboronic acid16419-60-645 % 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

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