ChemSpider 2D Image | 4-Chloro-2-pyrimidinecarboxylic acid | C5H3ClN2O2

4-Chloro-2-pyrimidinecarboxylic acid

  • Molecular FormulaC5H3ClN2O2
  • Average mass158.542 Da
  • Monoisotopic mass157.988312 Da
  • ChemSpider ID24723443

More details:

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

2-Pyrimidinecarboxylic acid, 4-chloro- [ACD/Index Name]
4-Chlor-2-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
4-Chloro-2-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-chloropyrimidine-2-carboxylic acid
944901-20-6 [RN]
Acide 4-chloro-2-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
[944901-20-6] [RN]
4-Chloropyrimidine-2-Carboxylic Acid (en)
4-chloropyrimidine-2-carboxylic?acid
MFCD10000621 [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: 395.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 193.1±25.7 °C
    Index of Refraction: 1.598
    Molar Refractivity: 34.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.22
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 73.2±3.0 dyne/cm
    Molar Volume: 100.4±3.0 cm3

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