ChemSpider 2D Image | 5-Chloro-6-nitro-2,1,3-benzothiadiazol-4-amine | C6H3ClN4O2S

5-Chloro-6-nitro-2,1,3-benzothiadiazol-4-amine

  • Molecular FormulaC6H3ClN4O2S
  • Average mass230.632 Da
  • Monoisotopic mass229.966522 Da
  • ChemSpider ID114810643

More details:

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

2,1,3-Benzothiadiazol-4-amine, 5-chloro-6-nitro- [ACD/Index Name]
5-Chlor-6-nitro-2,1,3-benzothiadiazol-4-amin [German] [ACD/IUPAC Name]
5-Chloro-6-nitro-2,1,3-benzothiadiazol-4-amine [ACD/IUPAC Name]
5-Chloro-6-nitro-2,1,3-benzothiadiazol-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 427.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.4±27.3 °C
Index of Refraction: 1.814
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.27
ACD/KOC (pH 5.5): 221.44
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.27
ACD/KOC (pH 7.4): 221.44
Polar Surface Area: 126 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 102.8±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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