3-Chloro-4-[(E)-2-(5,5-Dimethyl-8-Phenyl-5,6-Dihydro-2-Naphthalenyl)Vinyl]Benzoic Acid

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Properties Simple | Detailed

Formula C27H23ClO2
IUPAC Name 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-6h-naphthalen-2-yl)vinyl]benzoic acid
Molecular Mass 414.923 g·mol−1
Heat of Formation -97.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 497.49 Å 3
Surface Area 428.52 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-6h-naphthalen-2-yl)vinyl]benzoic acid
InChIKey FRTYVAKGTFXRNY-CSKARUKUSA-N
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Elements H C O Cl