ChemSpider 2D Image | 1-[(4-Fluoro-3-nitrophenyl)amino]-1-oxo-2-propanyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoate | C21H22FN3O7

1-[(4-Fluoro-3-nitrophenyl)amino]-1-oxo-2-propanyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoate

  • Molecular FormulaC21H22FN3O7
  • Average mass447.414 Da
  • Monoisotopic mass447.144165 Da
  • ChemSpider ID33055837

More details:

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

1-[(4-Fluor-3-nitrophenyl)amino]-1-oxo-2-propanyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
1-[(4-Fluoro-3-nitrophenyl)amino]-1-oxo-2-propanyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoate [ACD/IUPAC Name]
3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)benzoate de 1-[(4-fluoro-3-nitrophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-[(4-fluoro-3-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: 605.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.41
ACD/KOC (pH 5.5): 3587.60
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.25
ACD/KOC (pH 7.4): 3586.70
Polar Surface Area: 140 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 326.7±3.0 cm3

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