ChemSpider 2D Image | (~2~H_3_)Methyl (2E)-2-[2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyacrylate | C22H18D3ClN2O4

(2H3)Methyl (2E)-2-[2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyacrylate

  • Molecular FormulaC22H18D3ClN2O4
  • Average mass415.885 Da
  • Monoisotopic mass415.137817 Da
  • ChemSpider ID107435581

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (2E)-2-[2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyacrylate [ACD/IUPAC Name]
(2H3)Methyl-(2E)-2-[2-({[3-(4-chlorphenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyacrylat [German] [ACD/IUPAC Name]
(2E)-2-[2-({[3-(4-Chlorophényl)-1-méthyl-1H-pyrazol-5-yl]oxy}méthyl)phényl]-3-méthoxyacrylate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[[[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy]methyl]-α-(methoxymethylene)-, methyl-d3 ester, (αE)- [ACD/Index Name]
1675201-90-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.4±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3425.74
ACD/KOC (pH 5.5): 11796.54
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3426.20
ACD/KOC (pH 7.4): 11798.13
Polar Surface Area: 63 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 340.0±7.0 cm3

Click to predict properties on the Chemicalize site


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