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Home > Encyclopedia > 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide structure

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide 

structure
  • CAS No:

    14618-10-1

  • Formula:

    C7H5NO5S

  • Chemical Name:

    3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

  • Synonyms:

    3H-1,2-Benzoxathiole,5-nitro-,2,2-dioxide;2-Hydroxy-5-nitrophenylmethanesulfonic acid sultone;2-Hydroxy-5-nitro-α-toluenesulfonic acid sultone;5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide;5-Nitro-2-hydroxytoluene-α-sulfonic acid sultone;NSC 121602

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide Basic Attributes

215.19 g/mol

215.18

238-655-1

121602

DTXSID8065795

Characteristics

97.6 Ų

144-146 °C @ Solvent: Hexane, Ethyl acetate

Drug Information

2-hydroxy-5-nitro-alpha toluenesulfonic acid sultone

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide Use and Manufacturing

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide: INACTIVE

Computed Properties

Molecular Weight:215.19
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Exact Mass:214.98884343
Monoisotopic Mass:214.98884343
Topological Polar Surface Area:97.6
Heavy Atom Count:14
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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