| CAS Number | 1052542-93-4 |
| Catalog Number | AG008TPX |
| Chemical Name | Methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride |
| IUPAC Name | methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C18H14ClNO2.ClH/c1-22-18(21)17-15(11-19)20-14-10-6-5-9-13(14)16(17)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H |
| InChI Key | FMGWRXCQHDBSCP-UHFFFAOYSA-N |
| MDL Number | MFCD07324820 |
| Molecular Formula | C18H15Cl2NO2 |
| Molecular Weight | 348.2232 |
| SMILES | O=C(C1=C(C2=CC=CC=C2)C3=CC=CC=C3N=C1CCl)OC.[H]Cl |
| Synonyms | methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride,
1052542-93-4,
AC1Q3BVN,
CTK6I8625,
AKOS027427055,
NE13520,
EN300-13773,
J-521864,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.223g/mol |
| Monoisotopic Mass | 347.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number