Basic information
- Standard SMILES
COC(=O)CC1c2cccc(Br)c2C=CN1C(C)=O- InChIKey
WUJNFSWXMJDNQF-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO3
- Average molar mass
- 324.17 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-acetyl-5-bromo-1,2-dihydroisoquinolin-1-yl)acetate
- IUPAC
- methyl 2-(2-acetyl-5-bromo-1H-isoquinolin-1-yl)acetate
Names & synonyms
methyl 2-(2-acetyl-5-bromo-1,2-dihydroisoquinolin-1-yl)acetateSCHEMBL15487595WUJNFSWXMJDNQF-UHFFFAOYSA-N1571145-30-6DB-220916
Database identifiers
- PubChem CID
- 89979853
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
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