3-Chloro-5-[2-Chloro-5-(2H-Indazol-3-Ylmethoxy)Phenoxy]Benzonitrile

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Properties Simple | Detailed

Formula C21H13Cl2N3O2
IUPAC Name 3-chloro-5-[2-chloro-5-(indazol-1-ium-2-id-3-ylmethoxy)phenoxy]benzonitrile
Molecular Mass 410.253 g·mol−1
Heat of Formation 235.4 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 443.2 Å 3
Surface Area 400.33 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey WHCLIFOVZDANCU-UHFFFAOYSA-N
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Elements H C N O Cl