| CAS Number | 1242260-50-9 |
| Catalog Number | AG009W1W |
| Chemical Name | 7-Bromo-4-chloro-8-methylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 7-bromo-4-chloro-8-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C13H11BrClNO2/c1-3-18-13(17)9-6-16-12-7(2)10(14)5-4-8(12)11(9)15/h4-6H,3H2,1-2H3 |
| InChI Key | FBOWOAIHNTYHEN-UHFFFAOYSA-N |
| MDL Number | MFCD16987429 |
| Molecular Formula | C13H11BrClNO2 |
| Molecular Weight | 328.5889 |
| SMILES | O=C(C1=C(Cl)C2=CC=C(Br)C(C)=C2N=C1)OCC |
| Synonyms | 1242260-50-9,
7-Bromo-4-chloro-8-methylquinoline-3-carboxylic acid ethyl ester,
3-Quinolinecarboxylic acid, 7-bromo-4-chloro-8-methyl-, ethyl ester,
ethyl 7-bromo-4-chloro-8-methylquinoline-3-carboxylate,
DTXSID60677853,
MFCD16987429,
ZINC47913006,
FBOWOAIHNTYHEN-UHFFFAOYSA-N,
|
| 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