Basic information
- Standard SMILES
COC(=O)CC1CCc2cc(Br)ccc2N1- InChIKey
INPWPOQJPYPQQY-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-methoxycarbonylmethyltetrahydroquinoline
- IUPAC
- methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
Names & synonyms
SCHEMBL8652335INPWPOQJPYPQQY-UHFFFAOYSA-N6-Bromo-2-methoxycarbonylmethyltetrahydroquinoline
Database identifiers
- PubChem CID
- 10401600
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
3 records
Compound notes
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