Basic information
- CAS
82846-08-0- Standard SMILES
O[C@H]1C=Cc2cc3c(ccc4ccccc43)c(F)c2[C@@H]1O- InChIKey
DUUMJOUNYOJJMW-MAUKXSAKSA-N- Molecular formula
- C18H13FO2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.08995782
Names & identifiers
- Preferred name
- Benz(a)anthracene-8,9-diol, 7-fluoro-8,9-dihydro-, trans-
- IUPAC
- (8S,9S)-7-fluoro-8,9-dihydrobenzo[a]anthracene-8,9-diol
Names & synonyms
82846-08-0Benz(a)anthracene-8,9-diol, 7-fluoro-8,9-dihydro-, trans-(8s,9s)-7-fluoro-8,9-dihydrotetraphene-8,9-diolDTXSID20232028
Database identifiers
- CAS
82846-08-0- PubChem CID
- 187342
- DTXSID
DTXSID20232028
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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