Basic information
- CAS
89446-12-8- Standard SMILES
COc1cc(Br)cc2c(Cl)cc(C)nc12- InChIKey
KPFQLSRENOSZHH-UHFFFAOYSA-N- Molecular formula
- C11H9BrClNO
- Average molar mass
- 286.55 g/mol
- Monoisotopic mass
- 284.9556
Names & identifiers
- Preferred name
- 6-Bromo-4-chloro-8-methoxy-2-methylquinoline
- IUPAC
- 6-bromo-4-chloro-8-methoxy-2-methylquinoline
Names & synonyms
89446-12-86-bromo-4-chloro-8-methoxy-2-methylquinolineDTXSID50561777RefChem:307541DTXCID60512553SCHEMBL9830058
Database identifiers
- CAS
89446-12-8- PubChem CID
- 14570331
- DTXSID
DTXSID50561777
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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