1-Methyl 2-borono-4-fluorobenzoate
Properties
- Molecular formula
- C8H8BFO4
- Molar mass
- 197.96 g/mol
- Exact mass
- 198.0500 Da
- logP
- -0.71Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- 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 the 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
850568-05-7SMILES
COC(=O)c1ccc(F)cc1B(O)OInChIKey
CHDCMVDJRAQCTJ-UHFFFAOYSA-NInChI
InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-borono-4-fluoro-, 1-methyl ester
- [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid
- Methyl 2-borono-4-fluorobenzoate
- 2-Methoxycarbonyl-5-fluorophenylboronic acid
- 5-Fluoro-2-methoxycarbonylphenylboronic acid
Work with 1-Methyl 2-borono-4-fluorobenzoate
Similar compounds
Methyl 4-fluorosalicylate392-04-163 % similar
Methyl 2,4-difluorobenzoate106614-28-262 % similar
1-Methyl 2-boronobenzoate374538-03-162 % similar
Methyl 2-amino-4-fluorobenzoate2475-81-260 % similar
Methyl 4-fluoro-2-methoxybenzoate204707-42-659 % similar
Methyl 5-fluoro-2-hydroxybenzoate391-92-459 % similar
Methyl 2-chloro-4-fluorobenzoate85953-29-359 % similar
Methyl 2-amino-5-fluorobenzoate319-24-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.