B-(4-Nonylphenyl)boronic acid

C15H25BO2CAS 256383-45-6248.17 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C15H25BO2
Molar mass
248.17 g/mol
Exact mass
248.1948 Da
logP
2.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
256383-45-6
SMILES
CCCCCCCCCc1ccc(B(O)O)cc1
InChIKey
VONVJOGSLHAKOX-UHFFFAOYSA-N
InChI
InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Boronic acid, B-(4-nonylphenyl)-
  • Boronic acid, (4-nonylphenyl)-
  • 4-Nonylphenylboronic acid
  • p-Nonylphenylboronic acid

Work with B-(4-Nonylphenyl)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

4-Pentylbenzeneboronic acid121219-12-396 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-586 % similar 4-Butylphenylboronic acid145240-28-485 % similar (4-Propylphenyl)boronic acid134150-01-971 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-465 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-760 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-460 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2,4,6-Tri(propan-2-yl)phenyl)boronic acid154549-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook