(4-Benzyloxycarbonylphenyl)boronic acid

C14H13BO4CAS 184000-11-1256.06 g/mol

Open in Covalent MOL file
BOOHOHO
Boronic acidEster

Properties

Molecular formula
C14H13BO4
Molar mass
256.06 g/mol
Exact mass
256.0907 Da
logP
0.72Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
184000-11-1
SMILES
B(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)(O)O
InChIKey
UXSDJFGNRVVDFM-UHFFFAOYSA-N
InChI
InChI=1S/C14H13BO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9,17-18H,10H2

Weigh it out

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

Names and synonyms

1 names
  • 4-(Benzyloxycarbonyl)phenylboronic Acid

Work with (4-Benzyloxycarbonylphenyl)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

Benzyl benzoate120-51-468 % similar Benzyl 4-hydroxybenzoate94-18-866 % similar 4-Ethoxycarbonylphenylboronic acid4334-88-762 % similar 3-Benzyloxycarbonyl-5-nitrophenylboronic acid380430-62-659 % similar [4-(Propoxycarbonyl)phenyl]boronic acid91062-38-359 % similar Benzyl phthalate523-31-954 % similar 4-Benzyloxy-phenylboronic acid146631-00-754 % similar 4-Methoxycarbonylphenylboronic acid99768-12-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzyloxy-2-formylphenylboronic acid139962-97-3 3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)380430-52-4

Elsewhere

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