ChemSpider 2D Image | 1-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-1-oxo-2-propanyl methyl 5-nitroisophthalate | C20H19ClN2O8

1-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-1-oxo-2-propanyl methyl 5-nitroisophthalate

  • Molecular FormulaC20H19ClN2O8
  • Average mass450.827 Da
  • Monoisotopic mass450.083008 Da
  • ChemSpider ID33162274

More details:

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

1,3-Benzenedicarboxylic acid, 5-nitro-, 2-[(4-chloro-2-methoxy-5-methylphenyl)amino]-1-methyl-2-oxoethyl methyl ester [ACD/Index Name]
1-[(4-Chlor-2-methoxy-5-methylphenyl)amino]-1-oxo-2-propanyl-methyl-5-nitroisophthalat [German] [ACD/IUPAC Name]
1-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-1-oxo-2-propanyl methyl 5-nitroisophthalate [ACD/IUPAC Name]
5-Nitroisophtalate de 1-[(4-chloro-2-méthoxy-5-méthylphényl)amino]-1-oxo-2-propanyle et de méthyle [French] [ACD/IUPAC 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: 630.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1003.26
ACD/KOC (pH 5.5): 4897.87
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1003.16
ACD/KOC (pH 7.4): 4897.40
Polar Surface Area: 137 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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