ChemSpider 2D Image | 1-Methyl-7-(3-nitrophenyl)-3-phenylpyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione | C21H13N5O4

1-Methyl-7-(3-nitrophenyl)-3-phenylpyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione

  • Molecular FormulaC21H13N5O4
  • Average mass399.359 Da
  • Monoisotopic mass399.096741 Da
  • ChemSpider ID28632558

More details:

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

1-Methyl-7-(3-nitrophenyl)-3-phenylpyrazolo[3,4-b]pyrrolo[3,4-d]pyridin-6,8(3H,7H)-dion [German] [ACD/IUPAC Name]
1-Methyl-7-(3-nitrophenyl)-3-phenylpyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione [ACD/IUPAC Name]
1-Méthyl-7-(3-nitrophényl)-3-phénylpyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione [French] [ACD/IUPAC Name]
Pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione, 1-methyl-7-(3-nitrophenyl)-3-phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 591.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.776
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 452.41
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.99
ACD/KOC (pH 7.4): 452.41
Polar Surface Area: 114 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 257.9±7.0 cm3

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