3-Carbamoylphenylboronic acid

C₇H₈BNO₃CAS 351422-73-6164.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈BNO₃
Molar mass: 164.95 g/mol
Exact mass: 165.0597 Da
logP: -0.75Crippen estimate
Polar surface area: 84.5 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 2

Identifiers

CAS number

351422-73-6

SMILES

N=C(O)c1cccc(B(O)O)c1

InChIKey

WDGWHKRJEBENCE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10)

Weigh it out

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

Names and synonyms

4 names

Boronic acid, [3-(aminocarbonyl)phenyl]-
Boronic acid, B-[3-(aminocarbonyl)phenyl]-
B-[3-(Aminocarbonyl)phenyl]boronic acid
3-(Aminocarbonyl)phenylboronic acid

Work with 3-Carbamoylphenylboronic 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

1,3-Benzenedicarboxamide1740-57-464 % similar 3-Carboxyphenylboronic acid25487-66-559 % similar 3-Bromobenzamide22726-00-755 % similar 3-Fluorobenzamide455-37-855 % similar 3-Chlorobenzamide618-48-455 % similar 3-Aminobenzamide3544-24-953 % similar 3-Methylbenzamide618-47-353 % similar 2-Naphthalenecarboxamide2243-82-550 % similar

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

Same formula

4-Carbamoylphenylboronic acid123088-59-5

Elsewhere

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