Basic information
- Standard SMILES
CCCCCCCCc1ccc2c(c1)c(F)c(F)c1cc(Br)ccc12- InChIKey
MPGHUARHMNFBII-UHFFFAOYSA-N- Molecular formula
- C22H23BrF2
- Average molar mass
- 405.3 g/mol
Names & identifiers
- Preferred name
- 9,10-Difluoro-2-bromo-7-octylphenanthrene
- IUPAC
- 2-bromo-9,10-difluoro-7-octylphenanthrene
Names & synonyms
SCHEMBL7607424MPGHUARHMNFBII-UHFFFAOYSA-N9,10-difluoro-2-bromo-7-octylphenanthrene9,10-difluoro-2-bromo-7-octyl-phenanthrene
Database identifiers
- PubChem CID
- 54084199
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Compound notes
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