| CAS Number | 384821-06-1 |
| Catalog Number | AG01DTN3(AGN-PC-0NERQ5) |
| Chemical Name | Ethyl 4-chloro-6-methoxy-8-methyl-3-quinolinecarboxylate |
| IUPAC Name | ethyl 4-chloro-6-methoxy-8-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C14H14ClNO3/c1-4-19-14(17)11-7-16-13-8(2)5-9(18-3)6-10(13)12(11)15/h5-7H,4H2,1-3H3 |
| InChI Key | UVYAEJZOEOXLQQ-UHFFFAOYSA-N |
| MDL Number | MFCD17401042 |
| Molecular Formula | C14H14ClNO3 |
| Molecular Weight | 279.7189 |
| SMILES | O=C(C2=C(Cl)C1=CC(OC)=CC(C)=C1N=C2)OCC |
| Synonyms | 384821-06-1,
ethyl 4-chloro-6-methoxy-8-methylquinoline-3-carboxylate,
AKOS006141960,
3-Quinolinecarboxylic acid, 4-chloro-6-methoxy-8-methyl-, ethyl ester,
CID11033233,
Ethyl 4-chloro-6-methoxy-8-methyl-quinoline-3-carboxylate,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.72g/mol |
| Monoisotopic Mass | 279.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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