ChemSpider 2D Image | (2Z)-3-(4-{[4-(Benzyloxy)-3-methoxybenzyl]oxy}-3,5-dichlorophenyl)-2-cyano-N-(3-nitrophenyl)acrylamide | C31H23Cl2N3O6

(2Z)-3-(4-{[4-(Benzyloxy)-3-methoxybenzyl]oxy}-3,5-dichlorophenyl)-2-cyano-N-(3-nitrophenyl)acrylamide

  • Molecular FormulaC31H23Cl2N3O6
  • Average mass604.437 Da
  • Monoisotopic mass603.096375 Da
  • ChemSpider ID68336558

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(4-{[4-(Benzyloxy)-3-methoxybenzyl]oxy}-3,5-dichlorophenyl)-2-cyano-N-(3-nitrophenyl)acrylamide [ACD/IUPAC Name]
(2Z)-3-(4-{[4-(Benzyloxy)-3-méthoxybenzyl]oxy}-3,5-dichlorophényl)-2-cyano-N-(3-nitrophényl)acrylamide [French] [ACD/IUPAC Name]
(2Z)-3-(4-{[4-(Benzyloxy)-3-methoxybenzyl]oxy}-3,5-dichlorphenyl)-2-cyan-N-(3-nitrophenyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-3-[3,5-dichloro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methoxy]phenyl]-N-(3-nitrophenyl)-, (2Z)- [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: 804.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.4±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 167255.75
ACD/KOC (pH 5.5): 190751.94
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 166826.94
ACD/KOC (pH 7.4): 190262.89
Polar Surface Area: 126 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 430.2±3.0 cm3

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