ChemSpider 2D Image | 6-Chloro-4-pyrimidinecarbonyl chloride | C5H2Cl2N2O

6-Chloro-4-pyrimidinecarbonyl chloride

  • Molecular FormulaC5H2Cl2N2O
  • Average mass176.988 Da
  • Monoisotopic mass175.954422 Da
  • ChemSpider ID13407022

More details:

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

263270-52-6 [RN]
4-Pyrimidinecarbonyl chloride, 6-chloro- [ACD/Index Name]
4-Pyrimidinecarbonyl chloride, 6-chloro- (9CI)
6-Chlor-4-pyrimidincarbonylchlorid [German] [ACD/IUPAC Name]
6-Chloro-4-pyrimidinecarbonyl chloride [ACD/IUPAC Name]
6-chloropyrimidine-4-carbonyl chloride
Chlorure de 6-chloro-4-pyrimidinecarbonyle [French] [ACD/IUPAC Name]
4-chloropyrimidine-6-carbonyl chloride
4-pyrimidinecarbonyl chloride,6-chloro-
4-PYRIMIDINECARBONYLCHLORIDE, 6-CHLORO-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 261.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 112.2±21.8 °C
    Index of Refraction: 1.572
    Molar Refractivity: 37.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 11.05
    ACD/KOC (pH 5.5): 194.24
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 11.05
    ACD/KOC (pH 7.4): 194.24
    Polar Surface Area: 43 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 58.0±3.0 dyne/cm
    Molar Volume: 114.2±3.0 cm3

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