ChemSpider 2D Image | (2S)-8-Bromo-6-chloro-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole] | C19H17BrClNO

(2S)-8-Bromo-6-chloro-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]

  • Molecular FormulaC19H17BrClNO
  • Average mass390.701 Da
  • Monoisotopic mass389.018188 Da
  • ChemSpider ID30653902

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-8-Brom-6-chlor-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole] [German] [ACD/IUPAC Name]
(2S)-8-Bromo-6-chloro-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole] [ACD/IUPAC Name]
(2S)-8-Bromo-6-chloro-1',3',3'-triméthyl-1',3'-dihydrospiro[chromene-2,2'-indole] [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 8-bromo-6-chloro-1',3'-dihydro-1',3',3'-trimethyl-, (2S)- [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: 479.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16290.43
ACD/KOC (pH 5.5): 35996.84
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16319.69
ACD/KOC (pH 7.4): 36061.48
Polar Surface Area: 12 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

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