3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C₁₂H₁₇BFNO₂CAS 819057-45-9237.08 g/mol

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Aryl halide Boronic ester Primary amine

Properties

Molecular formula: C₁₂H₁₇BFNO₂
Molar mass: 237.08 g/mol
Exact mass: 237.1336 Da
logP: 1.71Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

819057-45-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)F

InChIKey

FLMNWVXAEGUVNY-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3

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Names and synonyms

1 names

4-Amino-2-fluorophenylboronic acid, pinacol ester

Work with 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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

2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-458 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-353 % similar 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-253 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-951 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-047 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-846 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-645 % similar 2-Fluoro-5-nitrophenylboronic acid pinacol ester425378-68-345 % similar

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

Same formula

2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819058-34-9

Elsewhere

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