5-Cyano-2-fluorobenzeneboronic 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+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% 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 irritation50% of notifiers
Aggregated from 2 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
468718-30-1SMILES
B(C1=C(C=CC(=C1)C#N)F)(O)OInChIKey
ITCSMTHUTFTXLE-UHFFFAOYSA-NInChI
InChI=1S/C7H5BFNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,11-12HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Cyano-2-fluorobenzeneboronic acid
Similar compounds
2-Chloro-5-cyanophenylboronic acid936249-33-160 % similar
3,4-Difluorobenzonitrile64248-62-058 % similar
2,5-Difluorophenylboronic acid193353-34-355 % similar
2,4-Difluoro-3-cyanophenylboronic acid871940-31-754 % similar
(5-Bromo-2-fluorophenyl)boronic acid112204-57-651 % similar
3-Chloro-4-fluorobenzonitrile117482-84-551 % similar
2-Fluoro-5-methylphenylboronic acid166328-16-151 % similar
4-Fluoro-3-methylbenzonitrile185147-08-451 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.