| CAS Number | 83799-54-6 |
| Catalog Number | AG008I5Y(AGN-PC-0BRHW2) |
| Chemical Name | 2,2'-Bipyridine, 4-(chloromethyl)-4'-methyl- |
| IUPAC Name | 2-[4-(chloromethyl)pyridin-2-yl]-4-methylpyridine |
| InChI | InChI=1S/C12H11ClN2/c1-9-2-4-14-11(6-9)12-7-10(8-13)3-5-15-12/h2-7H,8H2,1H3 |
| InChI Key | UHTKTJKJDJOOKE-UHFFFAOYSA-N |
| MDL Number | MFCD24464190 |
| Molecular Formula | C12H11ClN2 |
| Molecular Weight | 218.6821 |
| SMILES | CC1=CC(C2=NC=CC(CCl)=C2)=NC=C1 |
| Synonyms | 83799-54-6,
4-(Chloromethyl)-4'-methyl-2,2'-bipyridyl,
4-(Chloromethyl)-4'-methyl-2,2'-bipyridine,
SCHEMBL3958545,
CTK3D1286,
DTXSID40720750,
MFCD24464190,
4-Chloromethyl-4'-methyl-2,2'-bipyridine,
2,2-Bipyridine, 4-(chloromethyl)-4-methyl-,
J3.495.810F,
2,2'-Bipyridine, 4-(chloromethyl)-4'-methyl-,
C3329,
2-[4-(chloromethyl)pyridin-2-yl]-4-methylpyridine,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.684g/mol |
| Monoisotopic Mass | 218.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number