Basic information
- CAS
1249388-52-0- Standard SMILES
Cc1nc2ccc(Cl)cc2c(C(=O)O)c1C- InChIKey
IHROXKLXFFMQSN-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dimethyl-4-quinolinecarboxylic acid
- IUPAC
- 6-chloro-2,3-dimethylquinoline-4-carboxylic acid
Names & synonyms
DTXSID101236885AKOS0106119146-Chloro-2,3-dimethyl-4-quinolinecarboxylic acid6-chloro-2,3-dimethylquinoline-4-carboxylic acid1249388-52-0
Database identifiers
- CAS
1249388-52-0- PubChem CID
- 61355428
- DTXSID
DTXSID101236885
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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