ChemSpider 2D Image | Phenestrol | C42H48Cl4N2O4


  • Molecular FormulaC42H48Cl4N2O4
  • Average mass786.654 Da
  • Monoisotopic mass784.236816 Da
  • ChemSpider ID141682

More details:

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

3,4-Hexandiyldi-4,1-phenylen-bis({4-[bis(2-chlorethyl)amino]phenyl}acetat) [German] [ACD/IUPAC Name]
3,4-Hexanediyldi-4,1-phenylene bis({4-[bis(2-chloroethyl)amino]phenyl}acetate) [ACD/IUPAC Name]
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene ester [ACD/Index Name]
Bis({4-[bis(2-chloroéthyl)amino]phényl}acétate) de 3,4-hexanediyldi-4,1-phénylène [French] [ACD/IUPAC Name]
Phenestrol [Wiki]
19659-38-2 [RN]
52597-19-0 [RN]
5632-92-8 [RN]
Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene ester
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (1,2-diethyl-1, 2-ethanediyl)-di-4,1-phenylene ester

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

NSC183736 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 842.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.5±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 217.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2792234.75
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3069072.50
Polar Surface Area: 59 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 634.7±3.0 cm3

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