1-Methyl 2-borono-4-fluorobenzoate

C₈H₈BFO₄CAS 850568-05-7197.96 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ester

Properties

Molecular formula: C₈H₈BFO₄
Molar mass: 197.96 g/mol
Exact mass: 198.0500 Da
logP: -0.71Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

850568-05-7

SMILES

COC(=O)c1ccc(F)cc1B(O)O

InChIKey

CHDCMVDJRAQCTJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 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

Work with 1-Methyl 2-borono-4-fluorobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-fluoro-2-hydroxybenzoate392-04-163 % similar Methyl 2,4-difluorobenzoate106614-28-262 % similar 1-Methyl 2-boronobenzoate374538-03-162 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-659 % similar Methyl 2-amino-5-fluorobenzoate319-24-455 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-855 % similar Methyl 4-fluoro-2-nitrobenzoate151504-81-353 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-5

Elsewhere

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