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Predicted properties of the compound entered.

ID QKQCKMUUOHIVAV-FQEVSTJZSA-N
Formula C21H19F5N2O6S
IUPAC Name methyl N-(2-{[(6S)-6-(2,4-difluorophenyl)-6-methyl-2-oxo-1,3-oxazinan-3-yl]methyl}phenyl)-N-(trifluoromethane)sulfonylcarbamate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H19F5N2O6S/c1-20(15-8-7-14(22)11-16(15)23)9-10-27(18(29)34-20)12-13-5-3-4-6-17(13)28(19(30)33-2)35(31,32)21(24,25)26/h3-8,11H,9-10,12H2,1-2H3/t20-/m0/s1
Standard InChIKey (User Input) InChIKey=QKQCKMUUOHIVAV-FQEVSTJZSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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