| CAS Number | 1065074-55-6 |
| Catalog Number | AG007CIC(AGN-PC-0WAE16) |
| Chemical Name | Methyl 6,8-dichloro-4-oxo-1,4-dihydroquinoline-2-carboxylate |
| IUPAC Name | methyl 6,8-dichloro-4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C11H7Cl2NO3/c1-17-11(16)8-4-9(15)6-2-5(12)3-7(13)10(6)14-8/h2-4H,1H3,(H,14,15) |
| InChI Key | GPHBMGYRXSTKML-UHFFFAOYSA-N |
| MDL Number | MFCD11053815 |
| Molecular Formula | C11H7Cl2NO3 |
| Molecular Weight | 272.0842 |
| SMILES | COC(=O)c1cc(=O)c2c([nH]1)c(Cl)cc(c2)Cl |
| Synonyms | Methyl 6,8-dichloro-4-oxo-1,4-dihydroquinoline-2-carboxylate,
1065074-55-6,
ACMC-2098kr,
CTK4A4585,
DTXSID20674560,
ANW-15385,
MFCD11053815,
ZINC38537092,
AKOS006196510,
AJ-95875,
AX8231393,
BC4488326,
Z6880,
A-4391,
I08-639,
C11H7Cl2NO3,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.081g/mol |
| Monoisotopic Mass | 270.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number