| CAS Number | 1133115-95-3 |
| Catalog Number | AG0090FF(AGN-PC-0WNPXU) |
| Chemical Name | Methyl 6-Acetamido-4-Chloroquinoline-2-Carboxylate |
| IUPAC Name | methyl 6-acetamido-4-chloroquinoline-2-carboxylate |
| InChI | InChI=1S/C13H11ClN2O3/c1-7(17)15-8-3-4-11-9(5-8)10(14)6-12(16-11)13(18)19-2/h3-6H,1-2H3,(H,15,17) |
| InChI Key | MJEXZIPIXRWVPO-UHFFFAOYSA-N |
| MDL Number | MFCD11855917 |
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.6910 |
| SMILES | COC(=O)c1cc(Cl)c2c(n1)ccc(c2)NC(=O)C |
| Synonyms | METHYL 6-ACETAMIDO-4-CHLOROQUINOLINE-2-CARBOXYLATE,
1133115-95-3,
ACMC-2099it,
METHYL6-ACETAMIDO-4-CHLOROQUINOLINE-2-CARBOXYLATE,
CTK4A8233,
DTXSID70674939,
ANW-16611,
MFCD11855917,
ZINC38537370,
AKOS015837708,
RTR-002566,
AJ-96094,
AX8229601,
TR-002566,
ST24025445,
Z7448,
I08-587,
C13H11ClN2O3,
A-5000,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.692g/mol |
| Monoisotopic Mass | 278.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number