ChemSpider 2D Image | (3R,4S)-3-Nitro-4-phenyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | C19H13NO5

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

  • Molecular FormulaC19H13NO5
  • Average mass335.310 Da
  • Monoisotopic mass335.079376 Da
  • ChemSpider ID32779628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Nitro-4-phenyl-3,4-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,4S)-3-Nitro-4-phenyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4S)-3-Nitro-4-phényl-3,4-dihydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4-dihydro-3-nitro-4-phenyl-, (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: 549.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 241.6±32.1 °C
Index of Refraction: 1.672
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 142.08
ACD/KOC (pH 5.5): 951.75
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 4.12
ACD/KOC (pH 7.4): 27.63
Polar Surface Area: 89 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 232.9±5.0 cm3

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