3-[3-[4-(3-Chlorophenyl)Phenyl]Isoxazol-5-Yl]Propanoic Acid

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Formula C18H14ClNO3
IUPAC Name 3-[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]propanoic acid
Molecular Mass 327.762 g·mol−1
Heat of Formation -181.3 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 372.62 Å 3
Surface Area 346.2 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
InChIKey URCXEYDVUSIQLH-UHFFFAOYSA-N
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Elements H C N O Cl