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4-[(4-methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole

HCID 313613
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Basic information

CAS
53619-61-7
Standard SMILES
Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1
InChIKey
SQAVTBVSLRAJAT-UHFFFAOYSA-N
Molecular formula
C13H9N3O3S
Average molar mass
287.3 g/mol
Monoisotopic mass
287.03646215

Names & identifiers

Preferred name
4-[(4-methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole
IUPAC
4-[(4-Methylphenyl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole

Database identifiers

CAS
53619-61-7
PubChem CID
313613
DTXSID
DTXSID90310564
ChEMBL
CHEMBL2409283
Nikkaji
J3.446.068J

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