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

C13H18BNO3CAS 188665-74-9247.10 g/mol

Open in Covalent MOL file
BOOOH2N
AmideBoronic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

3-Carboxyphenylboronic acid pinacol ester269409-73-668 % similar 3-Methoxycarbonylphenylboronic acid pinacol ester480425-35-266 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-862 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-956 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-254 % similar 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)acetanilide480424-93-953 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-653 % 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 N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-36-3 N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-37-4 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-one741709-59-1

Elsewhere

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