4-(N-Octyloxy)benzeneboronic acid

C₁₄H₂₃BO₃CAS 121554-09-4250.14 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₄H₂₃BO₃
Molar mass: 250.14 g/mol
Exact mass: 250.1740 Da
logP: 2.11Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

121554-09-4

SMILES

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

InChIKey

WABZSVITXOJJKH-UHFFFAOYSA-N

InChI

InChI=1S/C14H23BO3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11,16-17H,2-7,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-n-Octyloxyphenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-(N-Octyloxy)benzeneboronic 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

B-[4-(Hexyloxy)phenyl]boronic acid121219-08-7100 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-9100 % similar (4-Pentyloxyphenyl)boronic acid146449-90-397 % similar 4'-Pentyloxybiphenyl-4-boronic Acid158937-25-888 % similar B-(4-Butoxyphenyl)boronic acid105365-51-387 % similar 4-Propoxyphenylboronic acid186497-67-675 % similar 4-Ethoxyphenylboronic acid22237-13-464 % similar 4-(Heptyloxy)phenol13037-86-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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