3-Amino-5-Nitrobenzoisothiazole

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Formula C7H5N3O2S
IUPAC Name 5-nitro-1,2-benzothiazol-3-amine
Molecular Mass 195.198 g·mol−1
Heat of Formation 199.1 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 200.88 Å 3
Surface Area 195.74 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (5-nitro-1,2-benzothiazol-3-yl)amine
  • 1,2-benzisothiazol-3-amine, 5-nitro-
  • 3-amino-5-nitrobenzisothiazole
  • ac 34541
  • sr-01000641864-1
CAS Number(s)
  • 84387-89-3
InChIKey LDTCWISGJYTXDC-UHFFFAOYSA-N
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