Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
Basic information
- CAS
80752-21-2- Standard SMILES
Cc1c2ccccc2c(CO)c2c(F)cc3c(c12)C=C[C@H](O)[C@H]3O- InChIKey
LAKVOMYLAGQYPS-PXNSSMCTSA-N- Molecular formula
- C20H17FO3
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.11617256
Names & identifiers
- Preferred name
- Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
- IUPAC
- (3S,4S)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Names & synonyms
80752-21-2Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-DTXSID20230589(3s,4s)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrotetraphene-3,4-diol
Database identifiers
- CAS
80752-21-2- PubChem CID
- 187262
- DTXSID
DTXSID20230589
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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