4-Cyclohexylbenzeneboronic acid

C₁₂H₁₇BO₂CAS 374538-04-2204.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇BO₂
Molar mass: 204.08 g/mol
Exact mass: 204.1322 Da
logP: 1.41Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

374538-04-2

SMILES

B(C1=CC=C(C=C1)C2CCCCC2)(O)O

InChIKey

KNQVRFYNQWNYPU-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,14-15H,1-5H2

Weigh it out

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

Work with 4-Cyclohexylbenzeneboronic 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

4-(trans-4-Pentylcyclohexyl) phenyl boronic acid143651-26-763 % similar 1,4-Dicyclohexylbenzene1087-02-163 % similar [4-(trans-4-N-Propylcyclohexyl)phenyl]boronic acid146862-02-459 % similar 4-Cyclohexylphenol1131-60-855 % similar 4-Isopropylphenylboronic acid16152-51-550 % similar 1-Bromo-4-cyclohexylbenzene25109-28-850 % similar 1,4-Benzenediboronic acid4612-26-450 % similar 4-Cyclohexylbenzenamine6373-50-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylboronic acid pinacol ester24388-23-6

Elsewhere

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