ChemSpider 2D Image | (3R,4S)-4-(3,4-Dimethoxyphenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | C21H17NO7

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

  • Molecular FormulaC21H17NO7
  • Average mass395.362 Da
  • Monoisotopic mass395.100494 Da
  • ChemSpider ID32779630

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-(3,4-Dimethoxyphenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,4S)-4-(3,4-Dimethoxyphenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4S)-4-(3,4-Diméthoxyphényl)-3-nitro-3,4-dihydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 4-(3,4-dimethoxyphenyl)-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: 1.4±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 244.3±32.1 °C
Index of Refraction: 1.643
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 84.26
ACD/KOC (pH 5.5): 614.69
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 108 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 276.4±5.0 cm3

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