Found 49 results

Search term: MF = 'C_{18}H_{12}N_{6}O_{6}'
ChemSpider 2D Image | N-[1-(1,3-Benzodioxol-5-yl)-4-cyano-1H-1,2,3-triazol-5-yl]-4-methoxy-3-nitrobenzamide | C18H12N6O6

N-[1-(1,3-Benzodioxol-5-yl)-4-cyano-1H-1,2,3-triazol-5-yl]-4-methoxy-3-nitrobenzamide

  • Molecular FormulaC18H12N6O6
  • Average mass408.324 Da
  • Monoisotopic mass408.081818 Da
  • ChemSpider ID123296716

More details:

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

Benzamide, N-[1-(1,3-benzodioxol-5-yl)-4-cyano-1H-1,2,3-triazol-5-yl]-4-methoxy-3-nitro- [ACD/Index Name]
N-[1-(1,3-Benzodioxol-5-yl)-4-cyan-1H-1,2,3-triazol-5-yl]-4-methoxy-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-4-cyano-1H-1,2,3-triazol-5-yl]-4-methoxy-3-nitrobenzamide [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-4-cyano-1H-1,2,3-triazol-5-yl]-4-méthoxy-3-nitrobenzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 113.82
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 112.08
Polar Surface Area: 157 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 251.1±7.0 cm3

Click to predict properties on the Chemicalize site


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