ChemSpider 2D Image | (6Z)-3-Iodo-2,2-dimethyl-6-(phenylhydrazono)-2,3,4,6-tetrahydro-5H-benzo[h]chromen-5-one | C21H19IN2O2

(6Z)-3-Iodo-2,2-dimethyl-6-(phenylhydrazono)-2,3,4,6-tetrahydro-5H-benzo[h]chromen-5-one

  • Molecular FormulaC21H19IN2O2
  • Average mass458.292 Da
  • Monoisotopic mass458.049103 Da
  • ChemSpider ID32779640

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-3-Iod-2,2-dimethyl-6-(phenylhydrazono)-2,3,4,6-tetrahydro-5H-benzo[h]chromen-5-on [German] [ACD/IUPAC Name]
(6Z)-3-Iodo-2,2-dimethyl-6-(phenylhydrazono)-2,3,4,6-tetrahydro-5H-benzo[h]chromen-5-one [ACD/IUPAC Name]
(6Z)-3-Iodo-2,2-diméthyl-6-(phénylhydrazono)-2,3,4,6-tétrahydro-5H-benzo[h]chromén-5-one [French] [ACD/IUPAC Name]
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-3-iodo-2,2-dimethyl-, 6-(2-phenylhydrazone), (6Z)- [ACD/Index Name]
3-Iodo-2,2-dimethyl-6-(2-phenylhydrazono)-3,4-dihydro-2H-benzo[h]chromen-5(6H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5932.76
ACD/KOC (pH 5.5): 17477.69
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5913.92
ACD/KOC (pH 7.4): 17422.17
Polar Surface Area: 51 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 290.9±7.0 cm3

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