4-Carboxy-3-fluorophenylboronic acid
Properties
- Molecular formula
- C7H6BFO4
- Molar mass
- 183.93 g/mol
- Exact mass
- 184.0343 Da
- logP
- -0.80Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 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
120153-08-4SMILES
B(C1=CC(=C(C=C1)C(=O)O)F)(O)OInChIKey
CZDWJVSOQOMYGC-UHFFFAOYSA-NInChI
InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Carboxy-3-fluorophenylboronic acid
Similar compounds
4-Carboxy-3-chlorophenylboronic acid136496-72-562 % similar
2,4-Difluorobenzoic acid1583-58-060 % similar
3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid505083-04-560 % similar
2-Fluoro-4-hydroxybenzoic acid65145-13-358 % similar
2-Chloro-5-(dihydroxyboranyl)benzoic acid913835-32-258 % similar
4-Bromo-2-fluorobenzoic acid112704-79-757 % similar
2-Fluoro-4-iodobenzoic acid124700-40-957 % similar
4-Chloro-2-fluorobenzoic acid446-30-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.