2-Fluoro-5-(methoxycarbonyl)phenylboronic acid
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
850568-04-6SMILES
B(C1=C(C=CC(=C1)C(=O)OC)F)(O)OInChIKey
MSASJWBQVSRTOE-UHFFFAOYSA-NInChI
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Fluoro-5-(methoxycarbonyl)benzeneboronic acid
Work with 2-Fluoro-5-(methoxycarbonyl)phenylboronic acid
Similar compounds
Methyl 3,4-difluorobenzoate369-25-565 % similar
2-Fluoro-5-acetylphenylboronic acid870777-29-063 % similar
2-Chloro-4-(methoxycarbonyl)benzeneboronic acid603122-80-162 % similar
3-Borono-4-fluorobenzoic acid874219-59-760 % similar
3-Amino-4-fluorobenzoic acid methyl ester369-26-659 % similar
Methyl 3-fluoro-4-hydroxybenzoate403-01-059 % similar
Methyl 3-bromo-4-fluorobenzoate82702-31-659 % similar
2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride380430-55-758 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.