Basic information
- CAS
823236-16-4- Standard SMILES
CC(C)(C)C1=NCCc2ccc(Br)cc21- InChIKey
MUHAYBPYVGJPMA-UHFFFAOYSA-N- Molecular formula
- C13H16BrN
- Average molar mass
- 266.18 g/mol
- Monoisotopic mass
- 265.04661
Names & identifiers
- Preferred name
- 7-Bromo-1-tert-butyl-3,4-dihydroisoquinoline
- IUPAC
- 7-bromo-1-tert-butyl-3,4-dihydroisoquinoline
Names & synonyms
823236-16-47-Bromo-1-(tert-butyl)-3,4-dihydroisoquinoline7-Bromo-1-tert-butyl-3,4-dihydroisoquinolineDTXSID10838351DB-399860
Database identifiers
- CAS
823236-16-4- PubChem CID
- 71419084
- DTXSID
DTXSID10838351
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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