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Predicted properties of the compound entered.

ID GFPVLXXJIUEIOB-VNTWQREPSA-N
Formula C21H19ClF6N6O
IUPAC Name N'-{4-[3-chloro-5-(trifluoromethyl)phenyl]-1-[3-(propan-2-yloxy)pyrazin-2-yl]-3-(trifluoromethyl)-1H-pyrazol-5-yl}-N,N-dimethylmethanimidamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H19ClF6N6O/c1-11(2)35-19-18(29-5-6-30-19)34-17(31-10-33(3)4)15(16(32-34)21(26,27)28)12-7-13(20(23,24)25)9-14(22)8-12/h5-11H,1-4H3/b31-10+
Standard InChIKey (User Input) InChIKey=GFPVLXXJIUEIOB-VNTWQREPSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
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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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -