Basic information
- CAS
111189-46-9- Standard SMILES
O=C1CCCCC1c1ccc2ccc3c(Cl)c4ccccc4c4ccc1c2c34- InChIKey
SUCYKRMZUIXJPO-UHFFFAOYSA-N- Molecular formula
- C26H19ClO
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1124429
Names & identifiers
- Preferred name
- 2-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-one
- IUPAC
- 2-(6-chlorobenzo[a]pyren-1-yl)cyclohexan-1-one
Names & synonyms
111189-46-92-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-oneDTXSID409120322-(6-Chlorobenzo[pqr]tetraphen-1-yl)cyclohexan-1-one
Database identifiers
- CAS
111189-46-9- PubChem CID
- 183191
- DTXSID
DTXSID40912032
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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