ChemSpider 2D Image | 2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl 2-(4-chloro-3-nitrobenzoyl)benzoate | C22H21ClN2O8

2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl 2-(4-chloro-3-nitrobenzoyl)benzoate

  • Molecular FormulaC22H21ClN2O8
  • Average mass476.864 Da
  • Monoisotopic mass476.098633 Da
  • ChemSpider ID21983555

More details:

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

2-(4-Chloro-3-nitrobenzoyl)benzoate de 2-[(4-éthoxy-4-oxobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl 2-(4-chloro-3-nitrobenzoyl)benzoate [ACD/IUPAC Name]
2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl-2-(4-chlor-3-nitrobenzoyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, 2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl ester [ACD/Index Name]
ETHYL 4-{2-[2-(4-CHLORO-3-NITROBENZOYL)BENZOYLOXY]ACETAMIDO}BUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 372.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.02
ACD/KOC (pH 5.5): 1084.09
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.02
ACD/KOC (pH 7.4): 1084.09
Polar Surface Area: 145 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 354.2±3.0 cm3

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