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Predicted properties of the compound entered.

ID ABDTUOODOPSYMH-UHFFFAOYSA-N
Formula C22H13Cl2F10N3OS
IUPAC Name 4-[4-(3,5-dichlorophenyl)-5-(methylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)benzamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H13Cl2F10N3OS/c1-39-18-15(9-4-10(23)6-11(24)5-9)16(22(32,33)34)36-37(18)12-2-3-13(14(7-12)21(29,30)31)17(38)35-8-20(27,28)19(25)26/h2-7,19H,8H2,1H3,(H,35,38)
Standard InChIKey (User Input) InChIKey=ABDTUOODOPSYMH-UHFFFAOYSA-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 -
COSY -
HSQC/HMBC prediction -
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