ChemSpider 2D Image | (3R,4S)-4-(4-Chlorophenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | C19H12ClNO5

(3R,4S)-4-(4-Chlorophenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

  • Molecular FormulaC19H12ClNO5
  • Average mass369.755 Da
  • Monoisotopic mass369.040405 Da
  • ChemSpider ID32779631

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-(4-Chlorophenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4S)-4-(4-Chlorophényl)-3-nitro-3,4-dihydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
(3R,4S)-4-(4-Chlorphenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 4-(4-chlorophenyl)-3,4-dihydro-3-nitro-, (3R,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 520.78
ACD/KOC (pH 5.5): 2244.28
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 14.59
ACD/KOC (pH 7.4): 62.88
Polar Surface Area: 89 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 243.7±5.0 cm3

Click to predict properties on the Chemicalize site


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