ChemSpider 2D Image | 7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | C6H4N4O3

7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • Molecular FormulaC6H4N4O3
  • Average mass180.121 Da
  • Monoisotopic mass180.028336 Da
  • ChemSpider ID24597953

More details:

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

4H-Pyrrolo[3,2-d]pyrimidin-4-one, 3,5-dihydro-7-nitro- [ACD/Index Name]
7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
7-Nitro-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
3,5-Dihydro-7-nitro-4H-pyrrolo[3,2-d]pyrimidin-4-one
7-Nitro-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
7-Nitro-5H-pyrrolo[3,2-d]pyrimidin-4-ol
93587-26-9 [RN]
MFCD01465619

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

Density: 2.0±0.1 g/cm3
Boiling Point: 606.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.7±27.3 °C
Index of Refraction: 1.882
Molar Refractivity: 40.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.35
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.34
Polar Surface Area: 103 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 108.4±7.0 dyne/cm
Molar Volume: 88.9±7.0 cm3

Click to predict properties on the Chemicalize site


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