5-Chloro-2-Methylbenzoxazole

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Properties Simple | Detailed

Formula C8H6ClNO
IUPAC Name 5-chloro-2-methyl-1,3-benzoxazole
Molecular Mass 167.592 g·mol−1
Heat of Formation -8.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 179.35 Å 3
Surface Area 183.81 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry Cs
Synonyms
  • benzoxazole, 5-chloro-2-methyl-
CAS Number(s)
  • 19219-99-9
InChIKey HJCIGAUHTJBHBQ-UHFFFAOYSA-N
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Elements H C N O Cl