ChemSpider 2D Image | 1-(3-Chlorophenyl)-5-(dimethoxymethyl)-1H-pyrazole | C12H13ClN2O2

1-(3-Chlorophenyl)-5-(dimethoxymethyl)-1H-pyrazole

  • Molecular FormulaC12H13ClN2O2
  • Average mass252.697 Da
  • Monoisotopic mass252.066559 Da
  • ChemSpider ID27445065

More details:

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

1-(3-Chlorophenyl)-5-(dimethoxymethyl)-1H-pyrazole [ACD/IUPAC Name]
1-(3-Chlorophényl)-5-(diméthoxyméthyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-5-(dimethoxymethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
1269293-14-2 [RN]
1H-Pyrazole, 1-(3-chlorophenyl)-5-(dimethoxymethyl)- [ACD/Index Name]
1-(3-CHLOROPHENYL)-5-(DIMETHOXYMETHYL)PYRAZOLE
'1269293-14-2 [EINECS]
MFCD20275372

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 330.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 153.6±26.5 °C
    Index of Refraction: 1.565
    Molar Refractivity: 66.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 59.62
    ACD/KOC (pH 5.5): 649.26
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 59.62
    ACD/KOC (pH 7.4): 649.26
    Polar Surface Area: 36 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 39.7±7.0 dyne/cm
    Molar Volume: 204.9±7.0 cm3

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