(2S)-[6-Bromo-4-(4-Chlorophenyl)-2-Methyl-3-Quinolinyl][(2-Methyl-2-Propanyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C22H21BrClNO3
IUPAC Name (2s)-2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-tert-butoxy-acetic acid
Molecular Mass 462.764 g·mol−1
Heat of Formation -411.2 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 484.19 Å 3
Surface Area 388.26 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey UXIVWMINNPGARX-FQEVSTJZSA-N
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Elements C Cl H O N Br