ChemSpider 2D Image | 3-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-2-furoic acid | C8H6N4O5

3-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-2-furoic acid

  • Molecular FormulaC8H6N4O5
  • Average mass238.157 Da
  • Monoisotopic mass238.033813 Da
  • ChemSpider ID33249754

More details:

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

2-Furancarboxylic acid, 3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]
3-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-2-furoesäure [German] [ACD/IUPAC Name]
3-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-2-furoic acid [ACD/IUPAC Name]
Acide 3-[(3-nitro-1H-1,2,4-triazol-1-yl)méthyl]-2-furoïque [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: 549.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 286.0±32.9 °C
Index of Refraction: 1.745
Molar Refractivity: 53.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 89.6±7.0 dyne/cm
Molar Volume: 131.1±7.0 cm3

Click to predict properties on the Chemicalize site


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