(2S)-6-Chloro-7-(2-Methyl-2-Propanyl)-2-(Trifluoromethyl)-2H-Chromene-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H14ClF3O3
IUPAC Name (2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
Molecular Mass 334.718 g·mol−1
Heat of Formation -1184.5 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 348.75 Å 3
Surface Area 299.86 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey QGCKNIAMHUUUDI-LBPRGKRZSA-N
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Elements H C Cl O F