4-Bromo-2-(trifluoromethyl)-1,7-phenanthroline
Basic information
- CAS
50509-86-9- Standard SMILES
FC(F)(F)c1cc(Br)c2ccc3ncccc3c2n1- InChIKey
FWMDODFSNOWBBX-UHFFFAOYSA-N- Molecular formula
- C13H6BrF3N2
- Average molar mass
- 327.1 g/mol
- Monoisotopic mass
- 325.96665
Names & identifiers
- Preferred name
- 4-Bromo-2-(trifluoromethyl)-1,7-phenanthroline
- IUPAC
- 4-bromo-2-(trifluoromethyl)-1,7-phenanthroline
Names & synonyms
NSC1740264-bromo-2-(trifluoromethyl)-1,7-phenanthroline50509-86-9DTXSID50306084NSC-1740261,7-Phenanthroline, 4-bromo-2-(trifluoromethyl)-
Database identifiers
- CAS
50509-86-9- PubChem CID
- 299995
- DTXSID
DTXSID50306084
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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