ChemSpider 2D Image | 2-Chloropyrido[3,4-d]pyrimidin-4(1H)-one | C7H4ClN3O

2-Chloropyrido[3,4-d]pyrimidin-4(1H)-one

  • Molecular FormulaC7H4ClN3O
  • Average mass181.579 Da
  • Monoisotopic mass181.004288 Da
  • ChemSpider ID29785932

More details:

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

1437435-10-3 [RN]
2-Chloropyrido[3,4-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-Chloropyrido[3,4-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
2-Chlorpyrido[3,4-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidin-4(3H)-one, 2-chloro- [ACD/Index Name]
[1437435-10-3] [RN]
2-chloro-1H-pyrido[3,4-d]pyrimidin-4-one
2-chloro-3H,4H-pyrido[3,4-d]pyrimidin-4-one
2-Chloro-3H-pyrido[3,4-d]pyrimidin-4-one
2-Chloro-pyrido[3,4-d]pyrimidin-4-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.749
    Molar Refractivity: 44.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): 0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 32.41
    ACD/LogD (pH 7.4): -0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.81
    Polar Surface Area: 54 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 64.7±7.0 dyne/cm
    Molar Volume: 108.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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