Basic information
- CAS
86727-82-4- Standard SMILES
Cc1c2cc(C(F)(F)F)ccc2c(C)c2c1ccc1ccccc12- InChIKey
LDZODQWXEZPANT-UHFFFAOYSA-N- Molecular formula
- C21H15F3
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.11258496
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7,12-dimethyl-9-(trifluoromethyl)-
- IUPAC
- 7,12-dimethyl-9-(trifluoromethyl)benzo[a]anthracene
Names & synonyms
Benz(a)anthracene, 7,12-dimethyl-9-(trifluoromethyl)-86727-82-4DTXSID502357897,12-DIMETHYL-9-(TRIFLUOROMETHYL)TETRAPHENE
Database identifiers
- CAS
86727-82-4- PubChem CID
- 159003
- DTXSID
DTXSID50235789
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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