| CAS Number | 1065074-46-5 |
| Catalog Number | AG003RYE(AGN-PC-0WAE1I) |
| Chemical Name | Methyl 6-bromo-7-chloro-4-hydroxy-8-methylquinoline-2-carboxylate |
| IUPAC Name | methyl 6-bromo-7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C12H9BrClNO3/c1-5-10(14)7(13)3-6-9(16)4-8(12(17)18-2)15-11(5)6/h3-4H,1-2H3,(H,15,16) |
| InChI Key | DFICLYSHRHABBR-UHFFFAOYSA-N |
| MDL Number | MFCD11053780 |
| Molecular Formula | C12H9BrClNO3 |
| Molecular Weight | 330.5618 |
| SMILES | COC(=O)c1cc(O)c2c(n1)c(C)c(c(c2)Br)Cl |
| Synonyms | 1065074-46-5,
Methyl 6-bromo-7-chloro-4-hydroxy-8-methylquinoline-2-carboxylate,
METHYL 6-BROMO-7-CHLORO-8-METHYL-4-HYDROXYQUINOLINE-2-CARBOXYLATE,
METHYL 6-BROMO-7-CHLORO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLATE,
ACMC-2098kn,
CTK4A4581,
DTXSID70674515,
ANW-15381,
MFCD11053780,
ZINC95644693,
AKOS015834490,
RTR-001287,
AX8231373,
Z6876,
A-4387,
I08-548,
C12H9BrClNO3,
Methyl6-bromo-7-chloro-4-hydroxy-8-methylquinoline-2-carboxylate,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.562g/mol |
| Monoisotopic Mass | 328.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number