Basic information
- CAS
78971-92-3- Standard SMILES
Cc1c2ccccc2c(CO)c2c1ccc1ccc(F)cc12- InChIKey
XWCJLBRXSGTDSS-UHFFFAOYSA-N- Molecular formula
- C20H15FO
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.11069326
Names & identifiers
- Preferred name
- Benz(a)anthracene-12-methanol, 2-fluoro-7-methyl-
- IUPAC
- (2-fluoro-7-methylbenzo[a]anthracen-12-yl)methanol
Names & synonyms
78971-92-3Benz(a)anthracene-12-methanol, 2-fluoro-7-methyl-(2-fluoro-7-methyltetraphen-12-yl)methanolDTXSID40229470
Database identifiers
- CAS
78971-92-3- PubChem CID
- 186993
- DTXSID
DTXSID40229470
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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