3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C₁₃H₁₈BNO₃CAS 188665-74-9247.10 g/mol

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Amide Boronic ester

Properties

Molecular formula: C₁₃H₁₈BNO₃
Molar mass: 247.10 g/mol
Exact mass: 247.1380 Da
logP: 1.08Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

188665-74-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N

InChIKey

BPKIPHYWHVOWMS-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)

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Names and synonyms

1 names

3-Aminocarbonylphenylboronic acid, pinacol ester

Work with 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

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

4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-354 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-653 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-551 % similar [[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amine hydrochloride380430-65-949 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-049 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-549 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-347 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-747 % similar

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

Same formula

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-3 N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480424-94-0

Elsewhere

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