Basic information
- Standard SMILES
CCOC(=O)C1CC(c2ccccc2Br)c2c(Cl)cc(Cl)cc2N1- InChIKey
UPAPVKUUFWIXSP-UHFFFAOYSA-N- Molecular formula
- C18H16BrCl2NO2
- Average molar mass
- 429.1 g/mol
Names & identifiers
- Preferred name
- 4-(2-Bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(2-bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate
Names & synonyms
SCHEMBL6767188UPAPVKUUFWIXSP-UHFFFAOYSA-N4-(2-bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 10137463
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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