Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-
Basic information
- CAS
82846-07-9- Standard SMILES
O[C@H]1c2ccccc2-c2cc3ccccc3c(F)c2[C@@H]1O- InChIKey
IINHRBKUQPQQOY-ROUUACIJSA-N- Molecular formula
- C18H13FO2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.08995782
Names & identifiers
- Preferred name
- Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-
- IUPAC
- (5S,6S)-7-fluoro-5,6-dihydrobenzo[a]anthracene-5,6-diol
Names & synonyms
82846-07-9(5s,6s)-7-fluoro-5,6-dihydrotetraphene-5,6-diolBenz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-DTXSID5010029537-Fluoro-5,6-dihydrotetraphene-5,6-diol
Database identifiers
- CAS
82846-07-9- PubChem CID
- 186264
- DTXSID
DTXSID501002953
Properties
Computed structural properties
- XLogP
- 3
- 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
- 387
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Related reactions
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Compound notes
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