B-(3-Fluoro-4'-propyl(1,1'-biphenyl)-4-yl)boronic acid

C₁₅H₁₆BFO₂CAS 909709-42-8258.10 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₅H₁₆BFO₂
Molar mass: 258.10 g/mol
Exact mass: 258.1227 Da
logP: 2.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life90.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.9% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

909709-42-8

SMILES

CCCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1

InChIKey

XZGCBSYWWZAXRC-UHFFFAOYSA-N

InChI

InChI=1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3

Weigh it out

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

Names and synonyms

7 names

B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid
Boronic acid, B-(3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-
Boronic acid, (3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-
[3-Fluoro-4′-propylbiphenyl-4-yl]boronic acid
[2-Fluoro-4-(4-propylphenyl)phenyl]boronic acid
(3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronic acid
(3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronicacid

Work with B-(3-Fluoro-4'-propyl(1,1'-biphenyl)-4-yl)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

3-Fluoro-4-biphenylboronic acid409108-13-062 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-457 % similar 3-BB(F)B(F,F)-F205806-87-755 % similar 2-BB(F)B-395759-44-755 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-749 % similar (4-Propylphenyl)boronic acid134150-01-949 % similar 2,4-Difluorophenylboronic acid144025-03-647 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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