| CAS Number | 1099598-08-9 |
| Catalog Number | AG019CM4(AGN-PC-0WBRVA) |
| Chemical Name | 2-Chloro-5-(2,2,2-trifluoroethyl)pyridine |
| IUPAC Name | 2-chloro-5-(2,2,2-trifluoroethyl)pyridine |
| InChI | InChI=1S/C7H5ClF3N/c8-6-2-1-5(4-12-6)3-7(9,10)11/h1-2,4H,3H2 |
| InChI Key | GZLDIGZOBXAKKD-UHFFFAOYSA-N |
| MDL Number | MFCD11100550 |
| Molecular Formula | C7H5ClF3N |
| Molecular Weight | 195.5695 |
| SMILES | FC(CC1=CN=C(Cl)C=C1)(F)F |
| Synonyms | 2-Chloro-5-(2,2,2-trifluoroethyl)pyridine,
1099598-08-9,
SCHEMBL13738228,
CTK6H1405,
BBL103464,
STL557274,
ZINC30714898,
AKOS005255493,
AB63093,
TR-055141,
X4809,
Y-9890,
C7H5ClF3N,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.569g/mol |
| Monoisotopic Mass | 195.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number