Found 22 results

Search term: MF = 'C_{20}H_{19}Br_{2}NO_{2}'
ChemSpider 2D Image | (3aS,4R,9bR)-8-Bromo-4-(3-bromo-4,5-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C20H19Br2NO2

(3aS,4R,9bR)-8-Bromo-4-(3-bromo-4,5-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC20H19Br2NO2
  • Average mass465.178 Da
  • Monoisotopic mass462.978241 Da
  • ChemSpider ID81358598

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4R,9bR)-8-Brom-4-(3-brom-4,5-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(3aS,4R,9bR)-8-Bromo-4-(3-bromo-4,5-diméthoxyphényl)-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aS,4R,9bR)-8-Bromo-4-(3-bromo-4,5-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 8-bromo-4-(3-bromo-4,5-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-, (3aS,4R,9bR)- [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: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.0±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6491.44
ACD/KOC (pH 5.5): 18613.92
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6524.08
ACD/KOC (pH 7.4): 18707.55
Polar Surface Area: 30 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 304.4±3.0 cm3

Click to predict properties on the Chemicalize site


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