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Search term: SIBCFCFMNQLMMJ-UHFFFAOYAL (Found by InChIKey (full match))
ChemSpider 2D Image | 6a,9a-Dichloro-6-(3-ethoxy-2-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-(pentafluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone | C36H27Cl2F5N2O7

6a,9a-Dichloro-6-(3-ethoxy-2-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-(pentafluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

  • Molecular FormulaC36H27Cl2F5N2O7
  • Average mass765.507 Da
  • Monoisotopic mass764.111572 Da
  • ChemSpider ID3325722

More details:

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

6a,9a-Dichlor-6-(3-ethoxy-2-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-(pentafluorphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-1,3,7,9(2H,8H)-tetron [German] [ACD/IUPAC Name]
6a,9a-Dichloro-6-(3-ethoxy-2-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-(pentafluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone [ACD/IUPAC Name]
6a,9a-Dichloro-6-(3-éthoxy-2-hydroxyphényl)-2-[2-(4-hydroxyphényl)éthyl]-8-(pentafluorophényl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tétrone [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone, 6a,9a-dichloro-6-(3-ethoxy-2-hydroxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydro-2-[2-(4-hydroxyphenyl)ethyl]-8-(2,3,4,5,6-pentafluorophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 882.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 487.3±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 174.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4195.34
ACD/KOC (pH 5.5): 13638.35
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4172.63
ACD/KOC (pH 7.4): 13564.53
Polar Surface Area: 124 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 465.2±5.0 cm3

Click to predict properties on the Chemicalize site


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