| CAS Number | 864264-98-2 |
| Catalog Number | AG00IE24(AGN-PC-0WNRM1) |
| Chemical Name | 2-(Chloromethyl)-3-(trifluoromethyl)pyridine hydrochloride |
| IUPAC Name | 2-(chloromethyl)-3-(trifluoromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C7H5ClF3N.ClH/c8-4-6-5(7(9,10)11)2-1-3-12-6;/h1-3H,4H2;1H |
| InChI Key | LSTLOPHZEUSOQI-UHFFFAOYSA-N |
| MDL Number | MFCD22576265 |
| Molecular Formula | C7H6Cl2F3N |
| Molecular Weight | 232.0304 |
| SMILES | Cl.FC(C1=C(CCl)N=CC=C1)(F)F |
| Synonyms | 2-(Chloromethyl)-3-(trifluoromethyl)pyridine hydrochloride,
864264-98-2,
SCHEMBL506720,
2-chloromethyl-3-trifluoromethylpyridine hydrochloride,
LSTLOPHZEUSOQI-UHFFFAOYSA-N,
AKOS022176629,
AX8283109,
EN300-181444,
2-(chloromethyl)-3-(trifluoromethyl)pyridine,hydrochloride,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.027g/mol |
| Monoisotopic Mass | 230.983g/mol |
| Rotatable Bond Count | 1 |
| 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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