ChemSpider 2D Image | 4-(2-Chlorophenyl)-9-methyl-2-nitro-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine | C15H10ClN5O2S

4-(2-Chlorophenyl)-9-methyl-2-nitro-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

  • Molecular FormulaC15H10ClN5O2S
  • Average mass359.790 Da
  • Monoisotopic mass359.024384 Da
  • ChemSpider ID26602515

More details:

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

4-(2-Chlorophenyl)-9-methyl-2-nitro-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine [ACD/IUPAC Name]
4-(2-Chlorophényl)-9-méthyl-2-nitro-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépine [French] [ACD/IUPAC Name]
4-(2-Chlorphenyl)-9-methyl-2-nitro-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin [German] [ACD/IUPAC Name]
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4-(2-chlorophenyl)-9-methyl-2-nitro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 583.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±32.9 °C
Index of Refraction: 1.816
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.14
ACD/KOC (pH 5.5): 319.45
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.14
ACD/KOC (pH 7.4): 319.55
Polar Surface Area: 117 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 213.2±7.0 cm3

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