ChemSpider 2D Image | 1-[(4-Methoxy-2-nitrophenyl)amino]-1-oxo-2-propanyl (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate | C21H21ClN2O8

1-[(4-Methoxy-2-nitrophenyl)amino]-1-oxo-2-propanyl (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate

  • Molecular FormulaC21H21ClN2O8
  • Average mass464.853 Da
  • Monoisotopic mass464.098633 Da
  • ChemSpider ID22572873

More details:

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

(9-Chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)acétate de 1-[(4-méthoxy-2-nitrophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-[(4-Methoxy-2-nitrophenyl)amino]-1-oxo-2-propanyl (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate [ACD/IUPAC Name]
1-[(4-Methoxy-2-nitrophenyl)amino]-1-oxo-2-propanyl-(9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetat [German] [ACD/IUPAC Name]
2H-1,5-Benzodioxepin-7-acetic acid, 9-chloro-3,4-dihydro-, 2-[(4-methoxy-2-nitrophenyl)amino]-1-methyl-2-oxoethyl 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: 668.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.66
ACD/KOC (pH 5.5): 3655.53
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.52
ACD/KOC (pH 7.4): 3654.78
Polar Surface Area: 129 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement