4-Carbamoylphenylboronic acid

C₇H₈BNO₃CAS 123088-59-5164.95 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₇H₈BNO₃
Molar mass: 164.95 g/mol
Exact mass: 165.0597 Da
logP: -1.53Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

123088-59-5

SMILES

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

InChIKey

GNRHNKBJNUVWFZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)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

1 names

4-Aminocarbonylphenylboronic acid

Work with 4-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

Terephthalamide3010-82-061 % similar 4-Carboxyphenylboronic acid14047-29-159 % similar 4-Acetylphenylboronic acid149104-90-557 % similar (4-Chlorocarbonylphenyl)boronic anhydride332154-57-157 % similar 3-(Aminocarbonyl)-4-fluorobenzeneboronic acid874219-34-854 % similar 4-Hydroxybenzamide619-57-854 % similar 1,4-Benzenediboronic acid4612-26-452 % similar 4-(Aminocarbonyl)benzoic acid6051-43-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Carbamoylphenyl)boronic acid351422-73-6 (2-Aminocarbonylphenyl)boronic acid380430-54-6

Elsewhere

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