4-Nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole

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Basic information

Standard SMILES: O=[N+]([O-])c1cc(C(F)(F)F)cc2n[se]nc12
InChIKey: KXIIVIWWQMLJMU-UHFFFAOYSA-N
Molecular formula: C7H2F3N3O2Se
Average molar mass: 296.08 g/mol
Monoisotopic mass: 296.92643

Names & identifiers

Preferred name: 4-Nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole
IUPAC: 4-nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole

Names & synonyms

NSC6273714-nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole2,1,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-SCHEMBL8902929CHEMBL2003012CCG-35249NSC-627371NCI60_0086922,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-4-(Hydroxy(oxido)amino)-6-(trifluoromethyl)-2,1,3-benzoselenadiazole

Database identifiers

PubChem CID: 362897
ChEMBL: CHEMBL2003012

Properties

Computed structural properties

Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 296

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Compound notes

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