1-Bromo-5-(5-bromo-2-fluoro-4-nitrophenyl)sulfanyl-4-fluoro-2-nitrobenzene
Basic information
- CAS
325-58-6- Standard SMILES
O=[N+]([O-])c1cc(F)c(Sc2cc(Br)c([N+](=O)[O-])cc2F)cc1Br- InChIKey
RXQVNNYPLFQTHX-UHFFFAOYSA-N- Molecular formula
- C12H4Br2F2N2O4S
- Average molar mass
- 470.04 g/mol
- Monoisotopic mass
- 467.82266
Names & identifiers
- Preferred name
- 1-Bromo-5-(5-bromo-2-fluoro-4-nitrophenyl)sulfanyl-4-fluoro-2-nitrobenzene
- IUPAC
- 1-bromo-5-(5-bromo-2-fluoro-4-nitrophenyl)sulfanyl-4-fluoro-2-nitrobenzene
Names & synonyms
NSC403031325-58-6DTXSID90323093NSC-4030311,1'-Sulfanediylbis(5-bromo-2-fluoro-4-nitrobenzene)
Database identifiers
- CAS
325-58-6- PubChem CID
- 345405
- DTXSID
DTXSID90323093
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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