2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
Basic information
- CAS
3905-96-2- Standard SMILES
O=[N+]([O-])c1c(F)c(F)c(-c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c(F)c1F- InChIKey
FHSUVJURYZPEIO-UHFFFAOYSA-N- Molecular formula
- C12F8N2O4
- Average molar mass
- 388.13 g/mol
- Monoisotopic mass
- 387.97303178
Names & identifiers
- Preferred name
- 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
- IUPAC
- 1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene
- English name
- 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dinitro-1,1'-biphenyl
- Molecular formula
- C12F8N2O4
- Molecular weight
- 388.13
Names & synonyms
3905-96-22,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl4,4'-Dinitrooctafluorobiphenyl1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dinitro-EINECS 223-462-71,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzeneDTXSID30192301NS000455832,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl #
Database identifiers
- CAS
3905-96-2- PubChem CID
- 77510
- DTXSID
DTXSID30192301- EC Number
- 223-462-7
- Nikkaji
- J217.749H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
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