ChemSpider 2D Image | (2R)-2-[(E)-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide | C16H12Cl2N4O4

(2R)-2-[(E)-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide

  • Molecular FormulaC16H12Cl2N4O4
  • Average mass395.197 Da
  • Monoisotopic mass394.023560 Da
  • ChemSpider ID34991996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(E)-(4-Chlor-2-nitrophenyl)diazenyl]-N-(2-chlorphenyl)-3-oxobutanamid [German] [ACD/IUPAC Name]
(2R)-2-[(E)-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide [ACD/IUPAC Name]
(2R)-2-[(E)-(4-Chloro-2-nitrophényl)diazényl]-N-(2-chlorophényl)-3-oxobutanamide [French] [ACD/IUPAC Name]
Butanamide, 2-[(E)-2-(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxo-, (2R)- [ACD/Index Name]
229-355-1 [EINECS]
6486-23-3 [RN]
Pigment Yellow 3
UNII-L885GOC9B6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 54.03
ACD/KOC (pH 5.5): 253.82
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 20.18
Polar Surface Area: 117 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 264.9±7.0 cm3

Click to predict properties on the Chemicalize site


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