7-Fluoro-2,3-dihydrobenzo(a)pyrene-2,3-diol
Basic information
- CAS
83768-95-0- Standard SMILES
OC1C=c2ccc3c4cccc(F)c4cc4ccc(c2c43)C1O- InChIKey
TWZRWHPNFZODTG-UHFFFAOYSA-N- Molecular formula
- C20H13FO2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.08995782
Names & identifiers
- Preferred name
- 7-Fluoro-2,3-dihydrobenzo(a)pyrene-2,3-diol
- IUPAC
- 7-fluoro-2,3-dihydrobenzo[h]pyrene-2,3-diol
Names & synonyms
83768-95-07-Fluoro-2,3-dihydrobenzo(a)pyrene-2,3-diol7-Fluoro-2,3-dihydrobenzo[pqr]tetraphene-2,3-diolDTXSID201003821Benzo(a)pyrene-2,3-diol, 7-fluoro-2,3-dihydro-
Database identifiers
- CAS
83768-95-0- PubChem CID
- 186285
- DTXSID
DTXSID201003821
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
- 23
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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