| CAS Number | 1198475-48-7 |
| Catalog Number | AG00IZTA(AGN-PC-0WB0UI) |
| Chemical Name | 3-(2-Chloro-6-phenylpyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(2-chloro-6-phenylpyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C14H7ClF3N3O/c15-11-9(12-20-13(22-21-12)14(16,17)18)6-7-10(19-11)8-4-2-1-3-5-8/h1-7H |
| InChI Key | MWCZTICCTDGJJU-UHFFFAOYSA-N |
| MDL Number | MFCD14581650 |
| Molecular Formula | C14H7ClF3N3O |
| Molecular Weight | 325.6731 |
| SMILES | ClC2(=NC(C1(=CC=CC=C1))=CC=C2C3(=NOC(=N3)C(F)(F)F)) |
| Synonyms | 2-chloro-6-phenyl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine,
1198475-48-7,
3-(2-Chloro-6-phenylpyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole,
CTK6H3801,
KS-00001QA5,
ZX-RL003149,
MFCD14581650,
ZINC43828102,
AKOS005073550,
MD-0243,
RP16579,
PC200296,
AJ-108984,
chlorophenyltrifluoromethyloxadiazolylpyridine,
TR-070741,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.675g/mol |
| Monoisotopic Mass | 325.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number