ChemSpider 2D Image | 2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl 4,4-dihydroxy-3-butenoate | C15H16Cl2N2O8

2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl 4,4-dihydroxy-3-butenoate

  • Molecular FormulaC15H16Cl2N2O8
  • Average mass423.202 Da
  • Monoisotopic mass422.028381 Da
  • ChemSpider ID95698734

More details:

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

2-[(Dichloracetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl-4,4-dihydroxy-3-butenoat [German] [ACD/IUPAC Name]
2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl 4,4-dihydroxy-3-butenoate [ACD/IUPAC Name]
3-Butenoic acid, 4,4-dihydroxy-, 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl ester [ACD/Index Name]
4,4-Dihydroxy-3-buténoate de 2-[(2,2-dichloroacétyl)amino]-3-hydroxy-1-(4-nitrophényl)propyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.73
ACD/KOC (pH 5.5): 105.85
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.24
Polar Surface Area: 162 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

Click to predict properties on the Chemicalize site


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