Basic information
- CAS
89577-38-8- Standard SMILES
O[C@@H]1C=Cc2c(ccc3c(F)c4ccccc4cc23)[C@H]1O- InChIKey
AYSYSODSLPUONT-SJLPKXTDSA-N- Molecular formula
- C18H13FO2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.08995782
Names & identifiers
- Preferred name
- trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene
- IUPAC
- (3R,4R)-7-fluoro-3,4-dihydrobenzo[a]anthracene-3,4-diol
Names & synonyms
7-Fluorobenz(a)anthracene-trans-3,4-dihydrodioltrans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthraceneBenz(a)anthracene-3,4-diol, 3,4-dihydro-7-fluoro-, (E)-89577-38-8
Database identifiers
- CAS
89577-38-8- PubChem CID
- 174751
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Loading…