ChemSpider 2D Image | (2E)-(4-Chlorophenyl)[(4E)-4-{[(1-naphthylcarbamoyl)oxy]imino}-2,5-cyclohexadien-1-ylidene]acetonitrile | C25H16ClN3O2

(2E)-(4-Chlorophenyl)[(4E)-4-{[(1-naphthylcarbamoyl)oxy]imino}-2,5-cyclohexadien-1-ylidene]acetonitrile

  • Molecular FormulaC25H16ClN3O2
  • Average mass425.866 Da
  • Monoisotopic mass425.093109 Da
  • ChemSpider ID35786817

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-(4-Chlorophenyl)[(4E)-4-{[(1-naphthylcarbamoyl)oxy]imino}-2,5-cyclohexadien-1-ylidene]acetonitrile [ACD/IUPAC Name]
(2E)-(4-Chlorophényl)[(4E)-4-{[(1-naphtylcarbamoyl)oxy]imino}-2,5-cyclohexadién-1-ylidène]acétonitrile [French] [ACD/IUPAC Name]
(2E)-(4-Chlorphenyl)[(4E)-4-{[(1-naphthylcarbamoyl)oxy]imino}-2,5-cyclohexadien-1-yliden]acetonitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-chloro-α-[(4E)-4-[[[(1-naphthalenylamino)carbonyl]oxy]imino]-2,5-cyclohexadien-1-ylidene]-, (αE)- [ACD/Index Name]
BENZENEACETONITRILE,4-CHLORO-A-[4-[[[(1-NAPHTHALENYLAMINO)CARBONYL]OXY]IMINO]-2,5-CYCLOHEXADIEN-1-YLIDENE]-(9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16797.66
ACD/KOC (pH 5.5): 36814.59
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16797.37
ACD/KOC (pH 7.4): 36813.95
Polar Surface Area: 74 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 340.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement