| CAS Number | 1275545-13-5 |
| Catalog Number | AG01DTMC |
| Chemical Name | ethyl 6,8-dibromo-4-chloroquinoline-3-carboxylate |
| IUPAC Name | ethyl 6,8-dibromo-4-chloroquinoline-3-carboxylate |
| InChI | InChI=1S/C12H8Br2ClNO2/c1-2-18-12(17)8-5-16-11-7(10(8)15)3-6(13)4-9(11)14/h3-5H,2H2,1H3 |
| InChI Key | LWSQWKWOGDFWDY-UHFFFAOYSA-N |
| MDL Number | MFCD16181536 |
| Molecular Formula | C12H8Br2ClNO2 |
| Molecular Weight | 393.4584 |
| SMILES | CCOC(=O)c1cnc2c(Br)cc(Br)cc2c1Cl |
| Synonyms | 3-Quinolinecarboxylic acid, 6,8-dibromo-4-chloro-, ethyl ester,
1275545-13-5,
AKOS005957477,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.859g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.459g/mol |
| Monoisotopic Mass | 390.861g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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