2-Iodo-3-(trifluoromethoxy)nitrobenzene

HCID 91621189

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Basic information

CAS: 235101-49-2
Standard SMILES: O=[N+]([O-])c1cccc(OC(F)(F)F)c1I
InChIKey: XHANMWXKXMJEPY-UHFFFAOYSA-N
Molecular formula: C7H3F3INO3
Average molar mass: 333 g/mol
Monoisotopic mass: 332.91098

Names & identifiers

Preferred name: 2-Iodo-3-(trifluoromethoxy)nitrobenzene
IUPAC: 2-iodo-1-nitro-3-(trifluoromethoxy)benzene

Names & synonyms

235101-49-22-iodo-3-(trifluoromethoxy)nitrobenzene2-iodo-1-nitro-3-(trifluoromethoxy)benzeneBenzene, 2-iodo-1-nitro-3-(trifluoromethoxy)-DTXSID7012686821-Iodo-2-nitro-6-(trifluoromethoxy)benzene

Database identifiers

CAS: 235101-49-2
PubChem CID: 91621189
DTXSID: DTXSID701268682

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 243

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