ChemSpider 2D Image | 6-Chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4-diamine | C6H6ClN7O

6-Chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC6H6ClN7O
  • Average mass227.611 Da
  • Monoisotopic mass227.032242 Da
  • ChemSpider ID54975360

More details:

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

1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,2,4-oxadiazol-3-ylmethyl)- [ACD/Index Name]
6-Chlor-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-Chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-Chloro-N-(1,2,4-oxadiazol-3-ylméthyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC 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: 543.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.65
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.91
Polar Surface Area: 116 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 104.8±3.0 dyne/cm
Molar Volume: 132.7±3.0 cm3

Click to predict properties on the Chemicalize site


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