6-Fluoro-9,10-dihydrobenzo(a)pyrene-9,10-diol
Basic information
- CAS
83768-93-8- Standard SMILES
OC1C=Cc2c(F)c3ccc4cccc5ccc(c2C1O)c3c45- InChIKey
ZLDRXYJMSDDLEN-UHFFFAOYSA-N- Molecular formula
- C20H13FO2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.08995782
Names & identifiers
- Preferred name
- 6-Fluoro-9,10-dihydrobenzo(a)pyrene-9,10-diol
- IUPAC
- 6-fluoro-9,10-dihydrobenzo[a]pyrene-9,10-diol
Names & synonyms
83768-93-86-Fluoro-9,10-dihydrobenzo(a)pyrene-9,10-diolBenzo(a)pyrene-9,10-diol, 6-fluoro-9,10-dihydro-DTXSID2010038196-Fluoro-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol
Database identifiers
- CAS
83768-93-8- PubChem CID
- 190061
- DTXSID
DTXSID201003819
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…