Basic information
- CAS
827017-54-9- Standard SMILES
CCCCCCc1c(-c2ccc(Br)cc2)c2ccccc2n1C- InChIKey
JETTTWQIVGUDJB-UHFFFAOYSA-N- Molecular formula
- C21H24BrN
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.10921
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2-hexyl-1-methyl-1H-indole
- IUPAC
- 3-(4-bromophenyl)-2-hexyl-1-methylindole
Names & synonyms
3-(4-Bromophenyl)-2-hexyl-1-methyl-1H-indole827017-54-9DTXSID70837209RefChem:274403DTXCID10787951
Database identifiers
- CAS
827017-54-9- PubChem CID
- 71417879
- DTXSID
DTXSID70837209- Nikkaji
- J2.118.805K
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…