| CAS Number | 1242260-34-9 |
| Catalog Number | AG009W0K |
| Chemical Name | 4-Amino-8-bromo-6-methylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 4-amino-8-bromo-6-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)9-6-16-12-8(11(9)15)4-7(2)5-10(12)14/h4-6H,3H2,1-2H3,(H2,15,16) |
| InChI Key | XXRCSCXQXKJDKV-UHFFFAOYSA-N |
| MDL Number | MFCD16987452 |
| Molecular Formula | C13H13BrN2O2 |
| Molecular Weight | 309.1585 |
| SMILES | CCOC(=O)c1cnc2c(c1N)cc(cc2Br)C |
| Synonyms | 1242260-34-9,
4-Amino-8-bromo-6-methylquinoline-3-carboxylic acid ethyl ester,
SCHEMBL438293,
DTXSID80677875,
MFCD16987452,
ZINC47913040,
AKOS011473552,
SEL10648984,
OR309355,
T6331,
ethyl 4-amino-8-bromo-6-methylquinoline-3-carboxylate,
XXRCSCXQXKJDKV-UHFFFAOYSA-N,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.163g/mol |
| Monoisotopic Mass | 308.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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