| CAS Number | 1133115-52-2 |
| Catalog Number | AG003RYW(AGN-PC-07XU5Y) |
| Chemical Name | Methyl 8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate |
| IUPAC Name | methyl 8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate |
| InChI | InChI=1S/C11H6BrClFNO2/c1-17-11(16)8-4-6(13)9-7(14)3-2-5(12)10(9)15-8/h2-4H,1H3 |
| InChI Key | YMMWGEUTLGBMQW-UHFFFAOYSA-N |
| MDL Number | MFCD11855872 |
| Molecular Formula | C11H6BrClFNO2 |
| Molecular Weight | 318.5262 |
| SMILES | COC(=O)c1cc(Cl)c2c(n1)c(Br)ccc2F |
| Synonyms | METHYL 8-BROMO-4-CHLORO-5-FLUOROQUINOLINE-2-CARBOXYLATE,
1133115-52-2,
C11H6BrClFNO2,
ACMC-2099i8,
CTK4A8213,
DTXSID80674824,
ANW-16590,
MFCD11855872,
ZINC38537280,
AKOS015834726,
RTR-002545,
AJ-96036,
AX8231371,
BC4718800,
TR-002545,
Z7427,
A-4980,
I08-554,
Methyl8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.526g/mol |
| Monoisotopic Mass | 316.925g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number