| CAS Number | 1909314-02-8 |
| Catalog Number | AG01C33K |
| Chemical Name | 3-(chloromethyl)-6-methylquinoline hydrochloride |
| IUPAC Name | 3-(chloromethyl)-6-methylquinoline;hydrochloride |
| InChI | InChI=1S/C11H10ClN.ClH/c1-8-2-3-11-10(4-8)5-9(6-12)7-13-11;/h2-5,7H,6H2,1H3;1H |
| InChI Key | PUJDJPBWMOGCQN-UHFFFAOYSA-N |
| MDL Number | MFCD29055204 |
| Molecular Formula | C11H11Cl2N |
| Molecular Weight | 228.1177 |
| SMILES | Cl.CC1=CC2=C(N=CC(=C2)CCl)C=C1 |
| Synonyms | 3-(chloromethyl)-6-methylquinoline hydrochloride,
1909314-02-8,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.116g/mol |
| Monoisotopic Mass | 227.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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