Ethyl (2S)-2-{4-[(6-Chloro-1,3-Benzoxazol-2-Yl)Oxy]Phenoxy}Propanoate

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Properties Simple | Detailed

Formula C18H16ClNO5
IUPAC Name ethyl (2s)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Molecular Mass 361.776 g·mol−1
Heat of Formation -519.5 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 401.06 Å 3
Surface Area 374.88 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid ethyl ester
  • (2s)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propionic acid ethyl ester
  • ethyl (2s)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
InChIKey PQKBPHSEKWERTG-NSHDSACASA-N
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Elements H C N O Cl