4-Chloro-3-{2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Benzoic Acid

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Properties Simple | Detailed

Formula C14H20ClNO4
IUPAC Name 3-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-benzoic acid
Molecular Mass 301.766 g·mol−1
Heat of Formation -767.3 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 357.69 Å 3
Surface Area 301.35 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey QNYWJTMYNAJZTQ-JTQLQIEISA-N
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Elements H C N O Cl