| CAS Number | 1303445-99-9 |
| Catalog Number | AG009XGR |
| Chemical Name | 2-(Benzyloxy)-3-(chloromethyl)-4,6-dimethylpyridine |
| IUPAC Name | 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine |
| InChI | InChI=1S/C15H16ClNO/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3 |
| InChI Key | HRARFISHYLFDSY-UHFFFAOYSA-N |
| MDL Number | MFCD13323362 |
| Molecular Formula | C15H16ClNO |
| Molecular Weight | 261.7466 |
| SMILES | CC1=CC(C)=C(CCl)C(OCC2=CC=CC=C2)=N1 |
| Synonyms | 2-(benzyloxy)-3-(chloromethyl)-4,6-dimethylpyridine,
1303445-99-9,
SCHEMBL15814340,
HRARFISHYLFDSY-UHFFFAOYSA-N,
ZINC40886153,
AKOS010508702,
DA-46284,
FT-0744620,
2-benzyloxy-3-chloromethyl-4,6-dimethyl-pyridine,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.749g/mol |
| Monoisotopic Mass | 261.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number