ChemSpider 2D Image | (2Z)-N-(3-Chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(2-propyn-1-yloxy)phenyl]acrylamide | C20H13Br2ClN2O2

(2Z)-N-(3-Chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(2-propyn-1-yloxy)phenyl]acrylamide

  • Molecular FormulaC20H13Br2ClN2O2
  • Average mass508.590 Da
  • Monoisotopic mass505.903229 Da
  • ChemSpider ID79868736

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-(3-Chlor-2-methylphenyl)-2-cyan-3-[3,5-dibrom-4-(2-propin-1-yloxy)phenyl]acrylamid [German] [ACD/IUPAC Name]
(2Z)-N-(3-Chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(2-propyn-1-yloxy)phenyl]acrylamide [ACD/IUPAC Name]
(2Z)-N-(3-Chloro-2-méthylphényl)-2-cyano-3-[3,5-dibromo-4-(2-propyn-1-yloxy)phényl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-(3-chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(2-propyn-1-yloxy)phenyl]-, (2Z)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16316.25
ACD/KOC (pH 5.5): 36056.05
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16292.29
ACD/KOC (pH 7.4): 36003.13
Polar Surface Area: 62 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

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