ChemSpider 2D Image | 2-{[(2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-yl)methoxy]methyl}benzoic acid | C30H29ClN6O3

2-{[(2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-yl)methoxy]methyl}benzoic acid

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID8113240

More details:

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

2-{[(2-Butyl-4-chlor-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-yl)methoxy]methyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-yl)methoxy]methyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2-butyl-4-chloro-1-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-imidazol-5-yl)méthoxy]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-5-yl]methoxy]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 779.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.5±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 31.40
ACD/KOC (pH 5.5): 63.26
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 119 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 416.0±7.0 cm3

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