ChemSpider 2D Image | (E)-N-[(2-Chloro-4-pyrimidinyl)oxy]-1-[5-(3,5-dimethylphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl]methanimine | C18H18ClN5O2

(E)-N-[(2-Chloro-4-pyrimidinyl)oxy]-1-[5-(3,5-dimethylphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl]methanimine

  • Molecular FormulaC18H18ClN5O2
  • Average mass371.821 Da
  • Monoisotopic mass371.114899 Da
  • ChemSpider ID30654962

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[(2-Chlor-4-pyrimidinyl)oxy]-1-[5-(3,5-dimethylphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl]methanimin [German] [ACD/IUPAC Name]
(E)-N-[(2-Chloro-4-pyrimidinyl)oxy]-1-[5-(3,5-dimethylphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl]methanimine [ACD/IUPAC Name]
(E)-N-[(2-Chloro-4-pyrimidinyl)oxy]-1-[5-(3,5-diméthylphénoxy)-1,3-diméthyl-1H-pyrazol-4-yl]méthanimine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 5-(3,5-dimethylphenoxy)-1,3-dimethyl-, O-(2-chloro-4-pyrimidinyl)oxime [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 276.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.42
ACD/KOC (pH 5.5): 1708.77
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.44
ACD/KOC (pH 7.4): 1708.92
Polar Surface Area: 74 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 285.2±7.0 cm3

Click to predict properties on the Chemicalize site


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