3-(Aminocarbonyl)-4-fluorobenzeneboronic acid

C₇H₇BFNO₃CAS 874219-34-8182.95 g/mol

Open in Covalent MOL file

Amide Aryl halide Boronic acid

Properties

Molecular formula: C₇H₇BFNO₃
Molar mass: 182.95 g/mol
Exact mass: 183.0503 Da
logP: -1.40Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 3 / 3
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

874219-34-8

SMILES

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

InChIKey

RNNYXSWJFLHIRC-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BFNO3/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H2,10,11)

Weigh it out

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Names and synonyms

1 names

(3-Carbamoyl-4-fluorophenyl)boronic acid

Work with 3-(Aminocarbonyl)-4-fluorobenzeneboronic 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-Carboxy-4-fluorophenylboronic acid872460-12-365 % similar 4-Fluoro-3-(methoxycarbonyl)phenylboronic acid874219-35-959 % similar 1-Ethyl 5-borono-2-fluorobenzoate874219-36-055 % similar 4-Carbamoylphenylboronic acid123088-59-554 % similar 2-Fluoro-5-(trifluoromethyl)benzamide207919-05-954 % similar (3,4-Difluorophenyl)boronic acid168267-41-253 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-453 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-548 % similar

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

Elsewhere

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