3-Fluoro-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
Basic information
- CAS
87559-59-9- Standard SMILES
Cc1c2c(c(C)c3ccccc13)C(O)C(O)c1cc(F)ccc1-2- InChIKey
VUMAJFMBUUERPG-UHFFFAOYSA-N- Molecular formula
- C20H17FO2
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.12125794
Names & identifiers
- Preferred name
- 3-Fluoro-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
- IUPAC
- 3-fluoro-7,12-dimethyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
Names & synonyms
3-fluoro-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol87559-59-9
Database identifiers
- CAS
87559-59-9- PubChem CID
- 186409
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 441
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Compound notes
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