ChemSpider 2D Image | 4-Chloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine | C6H3ClFN3

4-Chloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine

  • Molecular FormulaC6H3ClFN3
  • Average mass171.559 Da
  • Monoisotopic mass170.999954 Da
  • ChemSpider ID26052923

More details:

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

1311275-30-5 [RN]
4-Chlor-7-fluor-5H-pyrrolo[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine [ACD/IUPAC Name]
4-Chloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-7-fluoro- [ACD/Index Name]
MFCD19105251 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 329.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 152.9±26.5 °C
Index of Refraction: 1.683
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 81.35
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 81.26
Polar Surface Area: 42 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 104.5±3.0 cm3

Click to predict properties on the Chemicalize site


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