ChemSpider 2D Image | 2-{4-[(2,6-Dichlorophenyl)sulfonyl]-1-piperazinyl}-5-nitropyrimidine | C14H13Cl2N5O4S

2-{4-[(2,6-Dichlorophenyl)sulfonyl]-1-piperazinyl}-5-nitropyrimidine

  • Molecular FormulaC14H13Cl2N5O4S
  • Average mass418.255 Da
  • Monoisotopic mass417.006531 Da
  • ChemSpider ID70669382

More details:

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

2-{4-[(2,6-Dichlorophenyl)sulfonyl]-1-piperazinyl}-5-nitropyrimidine [ACD/IUPAC Name]
2-{4-[(2,6-Dichlorophényl)sulfonyl]-1-pipérazinyl}-5-nitropyrimidine [French] [ACD/IUPAC Name]
2-{4-[(2,6-Dichlorphenyl)sulfonyl]-1-piperazinyl}-5-nitropyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 2-[4-[(2,6-dichlorophenyl)sulfonyl]-1-piperazinyl]-5-nitro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.8±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 147.10
ACD/KOC (pH 5.5): 1239.25
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 147.12
ACD/KOC (pH 7.4): 1239.44
Polar Surface Area: 121 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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