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Predicted properties of the compound entered.

ID QKBHKNIBCOMLJR-UHFFFAOYSA-N
Formula C8H3ClF3IN2
IUPAC Name 6-chloro-4-iodo-2-(trifluoromethyl)-1H-1,3-benzodiazole
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C8H3ClF3IN2/c9-3-1-4(13)6-5(2-3)14-7(15-6)8(10,11)12/h1-2H,(H,14,15)
Standard InChIKey (User Input) InChIKey=QKBHKNIBCOMLJR-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 6-chloro-4-iodo-2-(trifluoromethyl)-1H-benzimidazole | 89427-01-0 | 6-Chloro-4-iodo-2-(trifluoromethyl)benzimidazole | Benzimidazole, 6-chloro-4-iodo-2-(trifluoromethyl)-
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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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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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