ChemSpider 2D Image | 6-[3-({[(3'-Fluoro-4-biphenylyl)carbonyl](isopropyl)amino}methyl)phenoxy]hexanoic acid | C29H32FNO4

6-[3-({[(3'-Fluoro-4-biphenylyl)carbonyl](isopropyl)amino}methyl)phenoxy]hexanoic acid

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID28529735

More details:

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

6-[3-({[(3'-Fluor-4-biphenylyl)carbonyl](isopropyl)amino}methyl)phenoxy]hexansäure [German] [ACD/IUPAC Name]
6-[3-({[(3'-Fluoro-4-biphenylyl)carbonyl](isopropyl)amino}methyl)phenoxy]hexanoic acid [ACD/IUPAC Name]
Acide 6-[3-({[(3'-fluoro-4-biphénylyl)carbonyl](isopropyl)amino}méthyl)phénoxy]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[3-[[[(3'-fluoro[1,1'-biphenyl]-4-yl)carbonyl](1-methylethyl)amino]methyl]phenoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.3±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 648.79
ACD/KOC (pH 5.5): 2082.77
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 33.17
Polar Surface Area: 67 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

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