| CAS Number | 59190-60-2 |
| Catalog Number | AG01A2NR(AGN-PC-002NWJ) |
| Chemical Name | 3-Pyridinyl[3-(trifluoromethyl)phenyl]methanone
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| IUPAC Name | pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone |
| InChI | InChI=1S/C13H8F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8H |
| InChI Key | FJGQCZNRGLLONR-UHFFFAOYSA-N |
| MDL Number | MFCD12877732 |
| Molecular Formula | C13H8F3NO |
| Molecular Weight | 251.2039 |
| SMILES | C(=O)(c1cc(C(F)(F)F)ccc1)c1cccnc1 |
| Synonyms | 59190-60-2,
3-[3-(trifluoromethyl)benzoyl]pyridine,
3-(3-Trifluoromethylbenzoyl)pyridine,
Pyridin-3-yl(3-(trifluoromethyl)phenyl)methanone,
SCHEMBL9002252,
CTK1E7937,
DTXSID70564407,
ZINC34372468,
NE21635,
(Pyridin-3-yl)[3-(trifluoromethyl)phenyl]methanone,
Methanone, 3-pyridinyl[3-(trifluoromethyl)phenyl]-,
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| Complexity | 303 |
| 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