Found 49 results

Search term: MF = 'C_{18}H_{12}N_{6}O_{6}'
ChemSpider 2D Image | 1-(2,4-Dinitrophenyl)-6-(3-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C18H12N6O6

1-(2,4-Dinitrophenyl)-6-(3-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC18H12N6O6
  • Average mass408.324 Da
  • Monoisotopic mass408.081818 Da
  • ChemSpider ID24643019

More details:

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

1-(2,4-Dinitrophenyl)-6-(3-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
1-(2,4-Dinitrophenyl)-6-(3-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-(2,4-Dinitrophényl)-6-(3-méthoxyphényl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-(2,4-dinitrophenyl)-1,5-dihydro-6-(3-methoxyphenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.763
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.01
ACD/KOC (pH 5.5): 334.08
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 73.90
Polar Surface Area: 160 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 77.5±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

Click to predict properties on the Chemicalize site


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