2,2'-Difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitrobiphenyl
Basic information
- CAS
567-81-7- Standard SMILES
Cc1c(F)c(-c2c(F)c(C)c([N+](=O)[O-])c(C)c2[N+](=O)[O-])c([N+](=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
MYODFJUODZLJDM-UHFFFAOYSA-N- Molecular formula
- C16H12F2N4O8
- Average molar mass
- 426.28 g/mol
- Monoisotopic mass
- 426.06231968
Names & identifiers
- Preferred name
- 2,2'-Difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitrobiphenyl
- IUPAC
- 1-fluoro-2-(2-fluoro-3,5-dimethyl-4,6-dinitrophenyl)-4,6-dimethyl-3,5-dinitrobenzene
Names & synonyms
567-81-72,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitrobiphenylNSC159246DTXSID10303594NSC-1592462,2'-Difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro-1,1'-biphenyl
Database identifiers
- CAS
567-81-7- PubChem CID
- 292971
- DTXSID
DTXSID10303594
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 660
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Compound notes
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