| CAS Number | 1355173-98-6 |
| Catalog Number | AG009XIS |
| Chemical Name | 5-(chloromethyl)-2-methoxy-3-methylpyridine |
| IUPAC Name | 5-(chloromethyl)-2-methoxy-3-methylpyridine |
| InChI | InChI=1S/C8H10ClNO/c1-6-3-7(4-9)5-10-8(6)11-2/h3,5H,4H2,1-2H3 |
| InChI Key | LHLAVLWZZLITIM-UHFFFAOYSA-N |
| MDL Number | MFCD21087202 |
| Molecular Formula | C8H10ClNO |
| Molecular Weight | 171.6241 |
| SMILES | COC1=C(C)C=C(CCl)C=N1 |
| Synonyms | 1355173-98-6,
ZINC72221931,
5-Chloromethyl-2-methoxy-3-methylpyridine,
5-ChloroMethyl-2-Methoxy-3-Methyl-pyridine,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.624g/mol |
| Monoisotopic Mass | 171.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number