| CAS Number | 132685-21-3 |
| Catalog Number | AG019S25(AGN-PC-0WOD8J) |
| Chemical Name | 3-Chloro-4-(Chloromethyl)Pyridine Hydrochloride |
| IUPAC Name | 3-chloro-4-(chloromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C6H5Cl2N.ClH/c7-3-5-1-2-9-4-6(5)8;/h1-2,4H,3H2;1H |
| InChI Key | XYVWVUNTXKILDP-UHFFFAOYSA-N |
| MDL Number | MFCD20441743 |
| Molecular Formula | C6H6Cl3N |
| Molecular Weight | 198.4775 |
| SMILES | ClCC1=C(Cl)C=NC=C1.[H]Cl |
| Synonyms | 3-chloro-4-(chloromethyl)pyridine hydrochloride,
132685-21-3,
SCHEMBL10418670,
XYVWVUNTXKILDP-UHFFFAOYSA-N,
AKOS026730349,
NE32896,
3-Chloro-4-chloromethylpyridine hydrochloride,
FT-0756566,
EN300-91493,
N/A,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.471g/mol |
| Monoisotopic Mass | 196.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number