ChemSpider 2D Image | {2-[(2,5-Dichloro-4-pyrimidinyl)amino]phenyl}(oxo)acetic acid | C12H7Cl2N3O3

{2-[(2,5-Dichloro-4-pyrimidinyl)amino]phenyl}(oxo)acetic acid

  • Molecular FormulaC12H7Cl2N3O3
  • Average mass312.108 Da
  • Monoisotopic mass310.986450 Da
  • ChemSpider ID67864589

More details:

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

{2-[(2,5-Dichlor-4-pyrimidinyl)amino]phenyl}(oxo)essigsäure [German] [ACD/IUPAC Name]
{2-[(2,5-Dichloro-4-pyrimidinyl)amino]phenyl}(oxo)acetic acid [ACD/IUPAC Name]
Acide {2-[(2,5-dichloro-4-pyrimidinyl)amino]phényl}(oxo)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(2,5-dichloro-4-pyrimidinyl)amino]-α-oxo- [ACD/Index Name]
[2-(2,5-dichloro-pyrimidin-4-ylamino)-phenyl]-oxo-acetic acid
{2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl}(oxo)acetic acid
1644503-10-5 [RN]
2-(2-((2,5-dichloropyrimidin-4-yl)amino)phenyl)-2-oxoacetic acid
2-(2-(2,5-dichloropyrimidin-4-ylamino)phenyl)-2-oxoacetic acid
2-{2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl}-2-oxoacetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 509.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.1±3.0 kJ/mol
    Flash Point: 262.0±30.1 °C
    Index of Refraction: 1.688
    Molar Refractivity: 73.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.32
    ACD/LogD (pH 5.5): -0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 76.4±3.0 dyne/cm
    Molar Volume: 192.0±3.0 cm3

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