B-(3-Cyano-5-fluorophenyl)boronic acid
Properties
- Molecular formula
- C7H5BFNO2
- Molar mass
- 164.93 g/mol
- Exact mass
- 165.0397 Da
- logP
- -0.62Crippen estimate
- Polar surface area
- 64.3 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
304858-67-1SMILES
N#Cc1cc(F)cc(B(O)O)c1InChIKey
DLYWCECHXBOCAS-UHFFFAOYSA-NInChI
InChI=1S/C7H5BFNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Boronic acid, B-(3-cyano-5-fluorophenyl)-
- Boronic acid, (3-cyano-5-fluorophenyl)-
- 3-Cyano-5-fluorobenzeneboronic acid
- 5-Fluoro-3-cyanophenylboronic acid
- (3-Cyano-5-fluorophenyl)boronic acid
- 3-Fluoro-5-cyanophenylboronic acid
Work with B-(3-Cyano-5-fluorophenyl)boronic acid
Similar compounds
(3,5-Difluorophenyl)boronic acid156545-07-261 % similar
3,5-Dicyanofluorobenzene453565-55-461 % similar
3,5-Difluorobenzonitrile64248-63-161 % similar
(3-Chloro-5-cyanophenyl)boronic acid915763-60-959 % similar
3-Cyanophenylboronic acid150255-96-253 % similar
B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-752 % similar
4-Cyanophenylboronic acid126747-14-650 % similar
3-Bromo-5-fluorobenzonitrile179898-34-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.