3-Borono-4-fluorobenzoic 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 irritation80% of notifiers
Aggregated from 5 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
874219-59-7SMILES
O=C(O)c1ccc(F)c(B(O)O)c1InChIKey
YLZPFWJYAFZZHF-UHFFFAOYSA-NInChI
InChI=1S/C7H6BFO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 3-borono-4-fluoro-
- 5-Carboxy-2-fluorophenylboronic acid
Work with 3-Borono-4-fluorobenzoic acid
Similar compounds
2-Fluoro-5-acetylphenylboronic acid870777-29-065 % similar
3,4-Difluorobenzoic acid455-86-764 % similar
3-Borono-4-chlorobenzoic acid913835-75-362 % similar
2-Fluoro-5-(methoxycarbonyl)phenylboronic acid850568-04-660 % similar
4-Fluoro-3-hydroxybenzoic acid51446-31-258 % similar
4-Borono-3-chlorobenzoic acid851335-09-658 % similar
3-Bromo-4-fluorobenzoic acid1007-16-557 % similar
3-Amino-4-fluorobenzoic acid2365-85-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.