(2R)-2-[2-(4-Chlorophenyl)-1,3-Benzoxazol-5-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C16H12ClNO3
IUPAC Name (2r)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Molecular Mass 301.724 g·mol−1
Heat of Formation -282.5 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 332.22 Å 3
Surface Area 308.57 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propionic acid
  • 5-benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-, (r)-
CAS Number(s)
  • 70280-67-0
InChIKey MITFXPHMIHQXPI-SECBINFHSA-N
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Elements H C N O Cl