| CAS Number | 1157726-85-6 |
| Catalog Number | AG01DTN0 |
| Chemical Name | ethyl 5-bromo-4-chloro-8-methylquinoline-3-carboxylate |
| IUPAC Name | ethyl 5-bromo-4-chloro-8-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C13H11BrClNO2/c1-3-18-13(17)8-6-16-12-7(2)4-5-9(14)10(12)11(8)15/h4-6H,3H2,1-2H3 |
| InChI Key | USJCVDKUEBMPHX-UHFFFAOYSA-N |
| MDL Number | MFCD12065841 |
| Molecular Formula | C13H11BrClNO2 |
| Molecular Weight | 328.5889 |
| SMILES | CCOC(=O)c1cnc2c(C)ccc(Br)c2c1Cl |
| Synonyms | 3-Quinolinecarboxylic acid, 5-bromo-4-chloro-8-methyl-, ethyl ester,
1157726-85-6,
ZINC37368596,
5-bromo-4-chloro-8-methylquinoline-3-carboxylic acid ethyl ester,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.59g/mol |
| Monoisotopic Mass | 326.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number