ChemSpider 2D Image | 4-Chloro(3-~2~H)-3H-pyrrolo[2,3-d]pyrimidine | C6H3DClN3

4-Chloro(3-2H)-3H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC6H3DClN3
  • Average mass154.575 Da
  • Monoisotopic mass154.015656 Da
  • ChemSpider ID62998648

  • Non-standard isotope - Non-standard isotope

More details:

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

3H-Pyrrolo[2,3-d]pyrimidine-3-d, 4-chloro- [ACD/Index Name]
4-Chlor(3-2H)-3H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro(3-2H)-3H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-Chloro(3-2H)-3H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
22277-08-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 289.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 128.7±30.1 °C
Index of Refraction: 1.750
Molar Refractivity: 38.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 95.4±7.0 cm3

Click to predict properties on the Chemicalize site


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