4-Ethoxycarbonyl-3-fluorophenylboronic acid

C₉H₁₀BFO₄CAS 874288-38-7211.98 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ester

Properties

Molecular formula: C₉H₁₀BFO₄
Molar mass: 211.98 g/mol
Exact mass: 212.0656 Da
logP: -0.32Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

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

874288-38-7

SMILES

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

InChIKey

CXSPPZZTTSHTMP-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BFO4/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,13-14H,2H2,1H3

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Names and synonyms

1 names

4-(Ethoxycarbonyl)-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-Ethoxycarbonyl-3-fluorophenylboronic 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

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-569 % similar Ethyl 2,4-difluorobenzoate108928-00-364 % similar 4-(Ethoxycarbonyl)phenylboronic acid4334-88-760 % similar (3-Ethoxycarbonylphenyl)boronic acid4334-87-658 % similar Ethyl o-fluorobenzoate443-26-557 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-456 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-455 % similar 4-Fluoro-3-(methoxycarbonyl)phenylboronic acid874219-35-954 % similar

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

Same formula

1-Ethyl 5-borono-2-fluorobenzoate874219-36-0

Elsewhere

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