ChemSpider 2D Image | DIAZOXIDE-D3 | C8H4D3ClN2O2S

DIAZOXIDE-D3

  • Molecular FormulaC8H4D3ClN2O2S
  • Average mass233.690 Da
  • Monoisotopic mass233.010498 Da
  • ChemSpider ID48057780
  • Non-standard isotope - Non-standard isotope


More details:






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

1,1-Dioxyde de 7-chloro-3-(2H3)méthyl-4H-1,2,4-benzothiadiazine [French] [ACD/IUPAC Name]
1432063-51-8 [RN]
4H-1,2,4-Benzothiadiazine, 7-chloro-3-(methyl-d3)-, 1,1-dioxide [ACD/Index Name]
7-Chlor-3-(2H3)methyl-4H-1,2,4-benzothiadiazin-1,1-dioxid [German] [ACD/IUPAC Name]
7-Chloro-3-(2H3)methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide [ACD/IUPAC Name]
DIAZOXIDE-D3
7-chloro-3-(trideuteriomethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 414.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±29.3 °C
Index of Refraction: 1.692
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 82.66
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 80.62
Polar Surface Area: 67 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 142.5±7.0 cm3

Click to predict properties on the Chemicalize site






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