| CAS Number | 21221-92-1 |
| Catalog Number | AG012YU4(AGN-PC-00K4XN) |
| Chemical Name | 3-Pyridinyl[4-(trifluoromethyl)phenyl]methanone
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| IUPAC Name | pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanone |
| InChI | InChI=1S/C13H8F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8H |
| InChI Key | KUCXNAXAAXKXGV-UHFFFAOYSA-N |
| MDL Number | MFCD13152905 |
| Molecular Formula | C13H8F3NO |
| Molecular Weight | 251.2039 |
| SMILES | C(=O)(c1ccc(C(F)(F)F)cc1)c1cccnc1 |
| Synonyms | 21221-92-1,
3-(4-Trifluoromethylbenzoyl)pyridine,
Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone,
(4-(trifluoroMethyl)phenyl)(pyridin-3-yl)Methanone,
3-[4-(Trifluoromethyl)benzoyl]pyridine,
SCHEMBL15648102,
KUCXNAXAAXKXGV-UHFFFAOYSA-N,
MFCD13152905,
ZINC45028779,
AKOS012086563,
CS-0060435,
Pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanone,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.208g/mol |
| Monoisotopic Mass | 251.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number