ChemSpider 2D Image | 4-[(3,5-Dinitrobenzoyl)amino]cyclohexyl methanesulfonate | C14H17N3O8S

4-[(3,5-Dinitrobenzoyl)amino]cyclohexyl methanesulfonate

  • Molecular FormulaC14H17N3O8S
  • Average mass387.365 Da
  • Monoisotopic mass387.073639 Da
  • ChemSpider ID59235911

More details:

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

4-[(3,5-Dinitrobenzoyl)amino]cyclohexyl methanesulfonate [ACD/IUPAC Name]
4-[(3,5-Dinitrobenzoyl)amino]cyclohexyl-methansulfonat [German] [ACD/IUPAC Name]
Benzamide, N-[4-[(methylsulfonyl)oxy]cyclohexyl]-3,5-dinitro- [ACD/Index Name]
Méthanesulfonate de 4-[(3,5-dinitrobenzoyl)amino]cyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 126.55
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.54
Polar Surface Area: 172 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

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