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4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium structure

CAS No:
53619-50-4
Formula:
C12H7N3O5S
Chemical Name:
4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Synonyms:
53619-50-4;NSC228113;DTXSID70310542;NSC-228113;7-(Benzenesulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole

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4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Basic Attributes

Molecular Weight：

305.27 g/mol

Exact Mass：

305.01064151 g/mol

NSC Number：

228113

DSSTox ID：

DTXSID70310542

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:305.27
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:305.01064151
Monoisotopic Mass:305.01064151
Topological Polar Surface Area:134
Heavy Atom Count:21
Complexity:426
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

Basic Attributes
Characteristics
Computed Properties

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