ChemSpider 2D Image | 1-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanone | C4H4N4O3

1-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanone

  • Molecular FormulaC4H4N4O3
  • Average mass156.100 Da
  • Monoisotopic mass156.028336 Da
  • ChemSpider ID24193386

More details:






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

1-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanone [ACD/IUPAC Name]
1-(3-Nitro-1H-1,2,4-triazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3-nitro-1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1-(3-Nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
129053-61-8 [RN]
1H-1,2,4-Triazole, 1-acetyl-3-nitro- (9CI)
1H-1,2,4-TRIAZOLE,1-ACETYL-3-NITRO-
MFCD18807031

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

Density: 1.7±0.1 g/cm3
Boiling Point: 389.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 189.0±23.2 °C
Index of Refraction: 1.697
Molar Refractivity: 34.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.11
Polar Surface Area: 94 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 90.3±7.0 cm3

Click to predict properties on the Chemicalize site






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