ChemSpider 2D Image | 2-[(3,4-Dichlorobenzyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-phenylethyl 3-nitrobenzenesulfonate | C26H26Cl2N2O7S

2-[(3,4-Dichlorobenzyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-phenylethyl 3-nitrobenzenesulfonate

  • Molecular FormulaC26H26Cl2N2O7S
  • Average mass581.465 Da
  • Monoisotopic mass580.083801 Da
  • ChemSpider ID28479172

More details:

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

2-[(3,4-Dichlorbenzyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-phenylethyl-3-nitrobenzolsulfonat [German] [ACD/IUPAC Name]
2-[(3,4-Dichlorobenzyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-phenylethyl 3-nitrobenzenesulfonate [ACD/IUPAC Name]
3-Nitrobenzènesulfonate de 2-[(3,4-dichlorobenzyl){[(2-méthyl-2-propanyl)oxy]carbonyl}amino]-1-phényléthyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3-nitro-, 2-[[(3,4-dichlorophenyl)methyl][(1,1-dimethylethoxy)carbonyl]amino]-1-phenylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 108465.75
ACD/KOC (pH 5.5): 139907.55
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 108465.75
ACD/KOC (pH 7.4): 139907.55
Polar Surface Area: 127 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 421.8±3.0 cm3

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