| CAS Number | 66735-22-6 |
| Catalog Number | AG00FGO9(AGN-PC-0OFVAY) |
| Chemical Name | 4-Chloro-6-ethoxy-2-methylquinoline |
| IUPAC Name | 4-chloro-6-ethoxy-2-methylquinoline |
| InChI | InChI=1S/C12H12ClNO/c1-3-15-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3 |
| InChI Key | MCHJXEBEWPNTSQ-UHFFFAOYSA-N |
| MDL Number | MFCD02929376 |
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.6828 |
| SMILES | CCOC1=CC2=C(N=C(C=C2Cl)C)C=C1 |
| Synonyms | 4-Chloro-6-ethoxy-2-methylquinoline,
66735-22-6,
EC-000.1521,
CTK5C5118,
DTXSID00497032,
MFCD02929376,
ZINC11847644,
AKOS002673955,
AB12734,
MCULE-5037620208,
quinoline, 4-chloro-6-ethoxy-2-methyl-,
T6602,
4-Chloro-6-ethoxy-2-methylquinoline, AldrichCPR,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.684g/mol |
| Monoisotopic Mass | 221.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number