ChemSpider 2D Image | (1-~2~H)-1H-Benzotriazol-4-(~2~H)ol | C6H3D2N3O

(1-2H)-1H-Benzotriazol-4-(2H)ol

  • Molecular FormulaC6H3D2N3O
  • Average mass137.136 Da
  • Monoisotopic mass137.055817 Da
  • ChemSpider ID95619537

  • Non-standard isotope - Non-standard isotope

More details:

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

(1-2H)-1H-Benzotriazol-4-(2H)ol [German] [ACD/IUPAC Name]
(1-2H)-1H-Benzotriazol-4-(2H)ol [ACD/IUPAC Name]
(1-2H)-1H-Benzotriazol-4-(2H)ol [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazol-1-d-4-ol-d [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: 473.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 239.9±21.2 °C
Index of Refraction: 1.786
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 92.72
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 52.28
Polar Surface Area: 62 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 99.6±3.0 dyne/cm
Molar Volume: 86.7±3.0 cm3

Click to predict properties on the Chemicalize site


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