1-(2,4-Dichlorophenyl)-1-(4-Fluorophenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethanol

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Properties Simple | Detailed

Formula C16H12Cl2FN3O
IUPAC Name (1r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)ethanol
Molecular Mass 352.190 g·mol−1
Heat of Formation -65.0 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 375.43 Å 3
Surface Area 303.65 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey RBNYRMJSBJAEIA-MRXNPFEDSA-N
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Elements C F H Cl O N