ChemSpider 2D Image | 4-[4'-(3-Pentyloxy)phenyl]phenylboronic acid | C17H21BO3

4-[4'-(3-Pentyloxy)phenyl]phenylboronic acid

  • Molecular FormulaC17H21BO3
  • Average mass284.158 Da
  • Monoisotopic mass284.158386 Da
  • ChemSpider ID21884658

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4'-(Pentan-3-yloxy)-[1,1'-biphenyl]-4-yl)boronic acid
[4'-(3-Pentanyloxy)-4-biphenylyl]boronic acid [ACD/IUPAC Name]
[4'-(3-Pentanyloxy)-4-biphenylyl]borsäure [German] [ACD/IUPAC Name]
1072944-31-0 [RN]
4-[4'-(3-Pentyloxy)phenyl]phenylboronic acid
Acide [4'-(3-pentanyloxy)-4-biphénylyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4'-(1-ethylpropoxy)[1,1'-biphenyl]-4-yl]- [ACD/Index Name]
MFCD10566951 [MDL number]
{4'-[(Pentan-3-yl)oxy][1,1'-biphenyl]-4-yl}boronic acid
4-(4'-(3-PENTYLOXY)PHENYL)PHENYLBORONIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 454.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1492.69
ACD/KOC (pH 5.5): 6507.77
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1409.37
ACD/KOC (pH 7.4): 6144.53
Polar Surface Area: 50 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

Click to predict properties on the Chemicalize site


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