ChemSpider 2D Image | 4-Methylcyclohexyl [(2-{[(2-fluoro-4-nitrophenoxy)carbonyl]amino}-3-pyridinyl)oxy]acetate | C21H22FN3O7

4-Methylcyclohexyl [(2-{[(2-fluoro-4-nitrophenoxy)carbonyl]amino}-3-pyridinyl)oxy]acetate

  • Molecular FormulaC21H22FN3O7
  • Average mass447.414 Da
  • Monoisotopic mass447.144165 Da
  • ChemSpider ID66141417

More details:

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

[(2-{[(2-Fluoro-4-nitrophénoxy)carbonyl]amino}-3-pyridinyl)oxy]acétate de 4-méthylcyclohexyle [French] [ACD/IUPAC Name]
4-Methylcyclohexyl [(2-{[(2-fluoro-4-nitrophenoxy)carbonyl]amino}-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
4-Methylcyclohexyl-[(2-{[(2-fluor-4-nitrophenoxy)carbonyl]amino}-3-pyridinyl)oxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[(2-fluoro-4-nitrophenoxy)carbonyl]amino]-3-pyridinyl]oxy]-, 4-methylcyclohexyl 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: 577.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.1±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1067.92
ACD/KOC (pH 5.5): 5120.97
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1064.85
ACD/KOC (pH 7.4): 5106.26
Polar Surface Area: 133 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 323.5±5.0 cm3

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