Basic information
- Standard SMILES
O=C(O)C1CC(c2cccc(Br)c2)c2c(Cl)cc(Cl)cc2N1- InChIKey
WPPGYCNQTWOWFF-UHFFFAOYSA-N- Molecular formula
- C16H12BrCl2NO2
- Average molar mass
- 401.1 g/mol
Names & identifiers
- Preferred name
- 4-(3-bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic Acid
- IUPAC
- 4-(3-bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Names & synonyms
SCHEMBL6642256WPPGYCNQTWOWFF-UHFFFAOYSA-N4-(3-bromophenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic Acid
Database identifiers
- PubChem CID
- 10179147
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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