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Search term: DLOKLLBFOFNGSM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [5-(2,3-Dichlorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-piperidinyl]methanone | C22H22Cl2N4O2

[5-(2,3-Dichlorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-piperidinyl]methanone

  • Molecular FormulaC22H22Cl2N4O2
  • Average mass445.342 Da
  • Monoisotopic mass444.111969 Da
  • ChemSpider ID29418056

More details:

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

[5-(2,3-Dichlorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[5-(2,3-Dichlorophénoxy)-1,3-diméthyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[5-(2,3-Dichlorphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [5-(2,3-dichlorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(2-pyridinyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.1±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 254.65
ACD/KOC (pH 5.5): 1392.91
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 658.81
ACD/KOC (pH 7.4): 3603.59
Polar Surface Area: 60 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 324.1±7.0 cm3

Click to predict properties on the Chemicalize site


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