| CAS Number | 1133115-70-4 |
| Catalog Number | AG0079F6(AGN-PC-0WNQ9V) |
| Chemical Name | Methyl 4-Chloro-7,8-Dimethylquinoline-2-Carboxylate |
| IUPAC Name | methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate |
| InChI | InChI=1S/C13H12ClNO2/c1-7-4-5-9-10(14)6-11(13(16)17-3)15-12(9)8(7)2/h4-6H,1-3H3 |
| InChI Key | VZYCKZKXAVZPOB-UHFFFAOYSA-N |
| MDL Number | MFCD11855885 |
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.6929 |
| SMILES | COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C |
| Synonyms | METHYL 4-CHLORO-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE,
1133115-70-4,
ACMC-2099ih,
CTK4A8221,
DTXSID00674841,
ANW-16599,
MFCD11855885,
ZINC38537303,
AKOS012682755,
RTR-002554,
AJ-96055,
BC635907,
AX8231383,
TR-002554,
ST24025362,
Z7436,
A-4988,
I08-607,
C13H12ClNO2,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.694g/mol |
| Monoisotopic Mass | 249.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number