| CAS Number | 948289-32-5 |
| Catalog Number | AG00IIK7 |
| Chemical Name | 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 6-chloro-2,8-dimethylquinoline-3-carboxylate |
| InChI | InChI=1S/C14H14ClNO2/c1-4-18-14(17)12-7-10-6-11(15)5-8(2)13(10)16-9(12)3/h5-7H,4H2,1-3H3 |
| InChI Key | RHNLYNLLYLFJSZ-UHFFFAOYSA-N |
| MDL Number | MFCD09787816 |
| Molecular Formula | C14H14ClNO2 |
| Molecular Weight | 263.7195 |
| SMILES | CCOC(=O)c1cc2cc(Cl)cc(c2nc1C)C |
| Synonyms | 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester,
948289-32-5,
DTXSID10589134,
MFCD09787816,
ZINC32099554,
AB52304,
OR309206,
T6788,
ETHYL 6-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLATE,
6-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 |
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Certificate of Analysis
Lot Number