| CAS Number | 27221-52-9 |
| Catalog Number | AG00BI52(AGN-PC-0WR456) |
| Chemical Name | 3,4-Bis(chloromethyl)pyridine hydrochloride |
| IUPAC Name | 3,4-bis(chloromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C7H7Cl2N.ClH/c8-3-6-1-2-10-5-7(6)4-9;/h1-2,5H,3-4H2;1H |
| InChI Key | MOXIJRNFBVTLBE-UHFFFAOYSA-N |
| MDL Number | MFCD28148302 |
| Molecular Formula | C7H8Cl3N |
| Molecular Weight | 212.5041 |
| SMILES | c1cncc(c1CCl)CCl.Cl |
| Synonyms | 3,4-bis(chloromethyl)pyridine hydrochloride,
27221-52-9,
MFCD28148302,
AKOS026730535,
3,4-bis(chloromethyl)pyridine;hydrochloride,
F8881-7806,
ACN-040535,
3,4-bis-chloromethyl-pyridine, hydrochloride,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.498g/mol |
| Monoisotopic Mass | 210.972g/mol |
| Rotatable Bond Count | 2 |
| 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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