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4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium structure

CAS No:
53619-51-5
Formula:
C13H9N3O5S
Chemical Name:
4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Synonyms:
53619-51-5;NSC228116;DTXSID50310545;NSC-228116;4-Nitro-1-oxo-7-(phenylmethanesulfinyl)-2,1lambda~5~,3-benzoxadiazole

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4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Basic Attributes

Molecular Weight：

319.29 g/mol

Exact Mass：

319.02629157 g/mol

NSC Number：

228116

DSSTox ID：

DTXSID50310545

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:319.29
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:319.02629157
Monoisotopic Mass:319.02629157
Topological Polar Surface Area:134
Heavy Atom Count:22
Complexity:440
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

Basic Attributes
Characteristics
Computed Properties

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