| CAS Number | 70158-60-0 |
| Catalog Number | AG00FLF2(AGN-PC-00MCWF) |
| Chemical Name | 2-chloro-3,5-bis(trifluoromethyl)pyridine |
| IUPAC Name | 2-chloro-3,5-bis(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H2ClF6N/c8-5-4(7(12,13)14)1-3(2-15-5)6(9,10)11/h1-2H |
| InChI Key | NZDGCDJQSHKITG-UHFFFAOYSA-N |
| MDL Number | MFCD00082555 |
| Molecular Formula | C7H2ClF6N |
| Molecular Weight | 249.5409 |
| SMILES | Clc1ncc(cc1C(F)(F)F)C(F)(F)F |
| Synonyms | 2-CHLORO-3,5-BIS(TRIFLUOROMETHYL)PYRIDINE,
70158-60-0,
SCHEMBL8408164,
CTK2H5217,
DTXSID30538366,
ZINC39619553,
AKOS005257835,
2-Chloro-3,5-bistrifluoromethylpyridine,
3,5-Bis(trifluoromethyl)-2-chloropyridine,
Pyridine, 2-chloro-3,5-bis(trifluoromethyl)-,
X-4241,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.54g/mol |
| Monoisotopic Mass | 248.978g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number