2-Nitrobenzeneboronic acid pinacol ester

C₁₂H₁₆BNO₄CAS 190788-59-1249.07 g/mol

Open in Covalent MOL file

Boronic ester Nitro

Properties

Molecular formula: C₁₂H₁₆BNO₄
Molar mass: 249.07 g/mol
Exact mass: 249.1172 Da
logP: 1.89Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

190788-59-1

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2[N+](=O)[O-]

InChIKey

VLJYUDGCEKORNG-UHFFFAOYSA-N

InChI

InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16/h5-8H,1-4H3

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Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane

Work with 2-Nitrobenzeneboronic acid pinacol ester

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-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-453 % similar 2-Nitrophenylboronic acid5570-19-453 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-050 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 1,2-Dinitrobenzene528-29-048 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-448 % similar 2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1083168-94-847 % similar O-Nitroanisole91-23-645 % similar

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

Same formula

4-Nitrophenylboronic acid pinacol ester171364-83-3

Elsewhere

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