7-Methoxybenzo(k)fluoranthene
Basic information
- CAS
116208-75-4- Standard SMILES
COc1c2c(cc3ccccc13)-c1cccc3cccc-2c13- InChIKey
JEKYPFVSTRYWPG-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- 7-Methoxybenzo(k)fluoranthene
- IUPAC
- 7-methoxybenzo[k]fluoranthene
Names & synonyms
7-Methoxybenzo(k)fluoranthene116208-75-47-methoxybenzo[k]fluorantheneBenzo(k)fluoranthene, 7-methoxy-DTXSID60151320
Database identifiers
- CAS
116208-75-4- PubChem CID
- 189384
- DTXSID
DTXSID60151320
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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