2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid

C₈H₈BFO₄CAS 603122-84-5197.96 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

603122-84-5

SMILES

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

InChIKey

BKWRLCIYMAYFPA-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Fluoro-4-(methoxycarbonyl)benzeneboronic 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

1-Methyl 4-borono-3-chlorobenzoate603122-80-166 % similar Methyl 3,4-difluorobenzoate369-25-565 % similar Methyl 3-fluoro-4-hydroxybenzoate403-01-063 % similar Dimethyl 2-fluoroterephthalate5292-47-762 % similar 2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride380430-55-761 % similar 1-Methyl 4-borono-3-nitrobenzoate85107-55-759 % similar Methyl-4-amino-3-fluorobenzoate185629-32-759 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-456 % similar

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

Same formula

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-5 1-Methyl 2-borono-4-fluorobenzoate850568-05-7

Elsewhere

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