ChemSpider 2D Image | (3R,4S)-3-Nitro-4-(2-thienyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | C17H11NO5S

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

  • Molecular FormulaC17H11NO5S
  • Average mass341.338 Da
  • Monoisotopic mass341.035797 Da
  • ChemSpider ID32779636

  • 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-(2-thienyl)-3,4-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,4S)-3-Nitro-4-(2-thienyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4S)-3-Nitro-4-(2-thiényl)-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-(2-thienyl)-, (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: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 61.81
ACD/KOC (pH 5.5): 436.61
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 13.06
Polar Surface Area: 117 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 223.1±5.0 cm3

Click to predict properties on the Chemicalize site


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