2-Fluoro-5-(methoxycarbonyl)phenylboronic acid

C₈H₈BFO₄CAS 850568-04-6197.96 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

850568-04-6

SMILES

B(C1=C(C=CC(=C1)C(=O)OC)F)(O)O

InChIKey

MSASJWBQVSRTOE-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-Fluoro-5-(methoxycarbonyl)benzeneboronic acid

Work with 2-Fluoro-5-(methoxycarbonyl)phenylboronic acid

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 3,4-difluorobenzoate369-25-565 % similar 2-Fluoro-5-acetylphenylboronic acid870777-29-063 % similar 1-Methyl 4-borono-3-chlorobenzoate603122-80-162 % 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. All similar compounds

Same formula

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-5 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid603122-84-5 1-Methyl 2-borono-4-fluorobenzoate850568-05-7 4-Fluoro-3-(methoxycarbonyl)phenylboronic acid874219-35-9

Elsewhere

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