| CAS Number | 1133115-60-2 |
| Catalog Number | AG003RXF(AGN-PC-07XU64) |
| Chemical Name | Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate |
| IUPAC Name | methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate |
| InChI | InChI=1S/C12H9BrClNO2/c1-6-3-4-7(13)10-8(14)5-9(12(16)17-2)15-11(6)10/h3-5H,1-2H3 |
| InChI Key | GDNKVLCQALRHCP-UHFFFAOYSA-N |
| MDL Number | MFCD11855876 |
| Molecular Formula | C12H9BrClNO2 |
| Molecular Weight | 314.5624 |
| SMILES | COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br |
| Synonyms | METHYL 5-BROMO-4-CHLORO-8-METHYLQUINOLINE-2-CARBOXYLATE,
1133115-60-2,
ACMC-2099ic,
CTK4A8216,
DTXSID90674830,
ANW-16594,
MFCD11855876,
ZINC38537286,
AKOS012682668,
RTR-002549,
AJ-96042,
AX8231374,
BC4488385,
TR-002549,
ST24025414,
Z7431,
A-4984,
I08-528,
C12H9BrClNO2,
METHYL5-BROMO-4-CHLORO-8-METHYLQUINOLINE-2-CARBOXYLATE,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.563g/mol |
| Monoisotopic Mass | 312.951g/mol |
| Rotatable Bond Count | 2 |
| 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
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Certificate of Analysis
Lot Number