2-Hydroxy-4-Chloro Benzothiozole

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Properties Simple | Detailed

Formula C7H4ClNOS
IUPAC Name 4-chloro-1,3-benzothiazol-2-one
Molecular Mass 185.631 g·mol−1
Heat of Formation -83.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 186.68 Å 3
Surface Area 183.1 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(3h)-benzothiazolone, 4-chloro-
  • 4-chloro-2(3h)-benzothiazolone
  • 4-chloro-3h-1,3-benzothiazol-2-one
  • 4-chlorobenzothiazol-2(3h)-one
CAS Number(s)
  • 39205-62-4
InChIKey MBFOZAKOORJAMK-UHFFFAOYSA-N
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