Chemical Properties of 1H-1,2,4-Triazole-1-ethanol, «beta»-[(2,4-dichlorophenyl)methylene]-«alpha»-(1,1-dimethylethyl)-,(E)-(±)-

1H-1,2,4-Triazole-1-ethanol, «beta»-[(2,4-dichlorophenyl)methylene]-«alpha»-(1,1-dimethylethyl)-,(E)-(±)-

InChI
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13H,6H2,1-3H3
InChI Key
NSLVZQNHOCYSEE-UHFFFAOYSA-N
Formula
C15H17Cl2N3O
SMILES
CC(C)(C)C(=O)C(Cc1ccc(Cl)cc1Cl)n1cncn1
Molecular Weight1
326.23
Other Names
  • DINICONAZOLE
  • Diniconazol
  • 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • 1H-1,2,4-Triazole-1-ethanol, «beta»-[(2,4-dichlorophenyl)methylene]-«alpha»-(1,1-dimethylethyl)-, («beta»E)-
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Physical Properties

Property Value Unit Source
log10WS -4.61 Relay (1.0) Calculated Property
logPoct/wat 3.984 Crippen Calculated Property
McVol 234.980 ml/mol McGowan Calculated Property
Inp 2370.00 NIST
Tfus 351.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Methyldihydromorphine. Hydrocodone. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. DIHYDROMORPHINE. Hydromorphone. DIHYDROMORPHINONE ACETATE. azadirachtin. Acetyldihydrocodeine. Benzquinamide M (N-des-Et), acetylated. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. etodolac. Etodolac, methylated.

Find more compounds similar to 1H-1,2,4-Triazole-1-ethanol, «beta»-[(2,4-dichlorophenyl)methylene]-«alpha»-(1,1-dimethylethyl)-,(E)-(±)-.

Sources

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