3-[3-(4-Chloro-3,5-Dimethylphenoxy)Propyl]-1-Benzothiophene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H19ClO3S
IUPAC Name 3-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]benzothiophene-2-carboxylic acid
Molecular Mass 374.881 g·mol−1
Heat of Formation -441.5 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 427.58 Å 3
Surface Area 381.2 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey GFWMYYSJLSUPMD-UHFFFAOYSA-N
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Elements H C S O Cl