(4-Propylphenyl)boronic acid

C₉H₁₃BO₂CAS 134150-01-9164.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃BO₂
Molar mass: 164.01 g/mol
Exact mass: 164.1009 Da
logP: 0.32Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

134150-01-9

SMILES

CCCc1ccc(B(O)O)cc1

InChIKey

WLCGYIWOKVWFLB-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3

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

Names and synonyms

4 names

4-Propylbenzeneboronic acid
Boronic acid, B-(4-propylphenyl)-
Boronic acid, (4-propylphenyl)-
B-(4-Propylphenyl)boronic acid

Work with (4-Propylphenyl)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

B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-488 % similar 4-Pentylbenzeneboronic acid121219-12-374 % similar B-(4-Nonylphenyl)boronic acid256383-45-671 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-567 % similar (4-Ethylphenyl)boronic acid63139-21-965 % similar 4-Propylphenol645-56-752 % similar B-(4-Butoxyphenyl)boronic acid105365-51-352 % similar B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid909709-42-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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