| CAS Number | 948294-07-3 |
| Catalog Number | AG00IIKS |
| Chemical Name | 5-Chloro-2,8-dimethylquinoline-3-carboxylic acid |
| IUPAC Name | 5-chloro-2,8-dimethylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H10ClNO2/c1-6-3-4-10(13)9-5-8(12(15)16)7(2)14-11(6)9/h3-5H,1-2H3,(H,15,16) |
| InChI Key | SHGJKLOQJDLYBG-UHFFFAOYSA-N |
| MDL Number | MFCD09787782 |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.6663 |
| SMILES | OC(=O)c1cc2c(Cl)ccc(c2nc1C)C |
| Synonyms | 5-Chloro-2,8-dimethylquinoline-3-carboxylic acid,
948294-07-3,
DTXSID00589103,
MFCD09787782,
ZINC32099502,
AB52227,
OR307992,
DB-080096,
FT-0701851,
T6826,
5-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLICACID,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.667g/mol |
| Monoisotopic Mass | 235.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number