(M-Acrylamidophenyl)boronic acid

C₉H₁₀BNO₃CAS 99349-68-5190.99 g/mol

Open in Covalent MOL file

Alkene Amide Boronic acid

Properties

Molecular formula: C₉H₁₀BNO₃
Molar mass: 190.99 g/mol
Exact mass: 191.0754 Da
logP: -0.51Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

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

99349-68-5

SMILES

B(C1=CC(=CC=C1)NC(=O)C=C)(O)O

InChIKey

ULVXDHIJOKEBMW-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BNO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6,13-14H,1H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Acrylamidophenylboronic acid

Work with (M-Acrylamidophenyl)boronic acid

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-Acetamidophenylboronic acid78887-39-559 % similar (3-Boc-aminophenyl)boronic acid380430-68-251 % similar 3-(Methylsulfonylamino)phenylboronic acid148355-75-344 % similar (3-Vinylphenyl)boronic acid15016-43-044 % similar 1,3-Benzenediboronic acid4612-28-643 % similar 3-(Methylcarbamoyl)benzeneboronic acid832695-88-242 % similar 3-Carboxyphenylboronic acid25487-66-542 % similar 3-Acetylphenylboronic acid204841-19-041 % similar

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

Elsewhere

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