ChemSpider 2D Image | (Z)-2-{1-[2-(2-Chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)vinyl 4-methylbenzoate | C32H27ClN2O3

(Z)-2-{1-[2-(2-Chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)vinyl 4-methylbenzoate

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID4685610

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-2-{1-[2-(2-Chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)vinyl 4-methylbenzoate [ACD/IUPAC Name]
(Z)-2-{1-[2-(2-Chlorphenoxy)ethyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)vinyl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de (Z)-2-{1-[2-(2-chlorophénoxy)éthyl]-1H-benzimidazol-2-yl}-1-(4-méthylphényl)vinyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, (Z)-2-[1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl]-1-(4-methylphenyl)ethenyl ester [ACD/Index Name]

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

BAS 00631625 [DBID]
ZINC03877017 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.1±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.52
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 737096.94
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 741835.19
Polar Surface Area: 53 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 437.8±7.0 cm3

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