Found 49 results

Search term: MF = 'C_{18}H_{12}N_{6}O_{6}'
ChemSpider 2D Image | 3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-6-yl)propanamide | C18H12N6O6

3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-6-yl)propanamide

  • Molecular FormulaC18H12N6O6
  • Average mass408.324 Da
  • Monoisotopic mass408.081818 Da
  • ChemSpider ID125991471

More details:

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

2H-Isoindole-2-propanamide, N-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-6-yl)-1,3-dihydro-4-nitro-1,3-dioxo- [ACD/Index Name]
3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-6-yl)propanamid [German] [ACD/IUPAC Name]
3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-6-yl)propanamide [ACD/IUPAC Name]
3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-6-yl)propanamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.814
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 104.34
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 71.79
Polar Surface Area: 166 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 88.1±7.0 dyne/cm
Molar Volume: 232.2±7.0 cm3

Click to predict properties on the Chemicalize site


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