| CAS Number | 61977-56-8 |
| Catalog Number | AG019STB(AGN-PC-03BL7J) |
| Chemical Name | 4-Pyridinyl[3-(trifluoromethyl)phenyl]methanone
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| IUPAC Name | pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanone |
| InChI | InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(18)9-4-6-17-7-5-9/h1-8H |
| InChI Key | JBYOLOCXQADHRL-UHFFFAOYSA-N |
| MDL Number | MFCD17535826 |
| Molecular Formula | C13H8F3NO |
| Molecular Weight | 251.2039 |
| SMILES | C(=O)(c1cc(C(F)(F)F)ccc1)c1ccncc1 |
| Synonyms | 4-[3-(trifluoromethyl)benzoyl]pyridine,
61977-56-8,
4-{[3-(trifluoromethyl)phenyl]carbonyl}pyridine,
CTK2C9472,
DTXSID10613882,
JBYOLOCXQADHRL-UHFFFAOYSA-N,
4-(m-trifluoromethylbenzoyl)pyridine,
ZINC55199256,
AKOS012084375,
MCULE-3190161586,
NE20848,
EN300-94844,
(Pyridin-4-yl)[3-(trifluoromethyl)phenyl]methanone,
Methanone, 4-pyridinyl[3-(trifluoromethyl)phenyl]-,
Z1270434188,
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanone,
61714-97-4,
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| Complexity | 297 |
| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number