N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

C₁₃H₁₈BNO₃CAS 480424-94-0247.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₈BNO₃
Molar mass: 247.10 g/mol
Exact mass: 247.1380 Da
logP: 2.20Crippen estimate
Polar surface area: 51.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

480424-94-0

SMILES

CC1(C)OB(c2ccc(N=CO)cc2)OC1(C)C

InChIKey

CDYFHMUSLGPPMI-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Formamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Work with N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

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'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-160 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-855 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-354 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-354 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-851 % similar 4-Formylphenylboronic acid pinacol ester128376-64-750 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-450 % similar Phenylboronic acid pinacol ester24388-23-650 % 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 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide188665-74-9 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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