| CAS Number | 948294-10-8 |
| Catalog Number | AG00IIKT |
| Chemical Name | 5-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 5-chloro-2,8-dimethylquinoline-3-carboxylate |
| InChI | InChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-11-12(15)6-5-8(2)13(11)16-9(10)3/h5-7H,4H2,1-3H3 |
| InChI Key | MLXDBZOEQRKMDW-UHFFFAOYSA-N |
| MDL Number | MFCD09787783 |
| Molecular Formula | C14H14ClNO2 |
| Molecular Weight | 263.7195 |
| SMILES | CCOC(=O)c1cc2c(Cl)ccc(c2nc1C)C |
| Synonyms | 5-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester,
948294-10-8,
DTXSID60589104,
MFCD09787783,
ZINC32099504,
AKOS027294996,
AB52229,
OR307993,
DB-080097,
FT-0718287,
T6827,
ETHYL 5-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLATE,
5-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester, AldrichCPR,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.721g/mol |
| Monoisotopic Mass | 263.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number