Basic information
- CAS
827017-57-2- Standard SMILES
CCCCc1ccc(CCCC)n1-c1ccc(Cl)cc1- InChIKey
SPRMICSRDXLZLF-UHFFFAOYSA-N- Molecular formula
- C18H24ClN
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.1597275
Names & identifiers
- Preferred name
- 2,5-Dibutyl-1-(4-chlorophenyl)-1H-pyrrole
- IUPAC
- 2,5-dibutyl-1-(4-chlorophenyl)pyrrole
Names & synonyms
827017-57-22,5-Dibutyl-1-(4-chlorophenyl)-1H-pyrroleDTXSID90837206
Database identifiers
- CAS
827017-57-2- PubChem CID
- 71417876
- DTXSID
DTXSID90837206
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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