1-Hydroxy-2,1-benzoxaborolane

C₇H₇BO₂CAS 5735-41-1133.94 g/mol

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Properties

Molecular formula: C₇H₇BO₂
Molar mass: 133.94 g/mol
Exact mass: 134.0539 Da
logP: -0.10Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed10% of notifiers
H312 Harmful in contact with skin10% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H332 Harmful if inhaled10% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5735-41-1

SMILES

B1(C2=CC=CC=C2CO1)O

InChIKey

XOQABDOICLHPIS-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

1 names

1-Hydroxy-2,1-benzoxaborole

Work with 1-Hydroxy-2,1-benzoxaborolane

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

Tavaborole174671-46-655 % similar 2-Methoxymethylphenylboronic acid126617-98-948 % similar Crisaborole906673-24-346 % similar 2-Hydroxymethylphenylboronic acid87199-14-241 % similar 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-139 % similar [2-(Bromomethyl)phenyl]boronic acid91983-14-139 % similar Phthalane496-14-037 % similar 3,3-Dimethylbenzo[C][1,2]oxaborol-1(3H)-ol221352-10-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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