| CAS Number | 944900-15-6 |
| Catalog Number | AG01BA2A |
| Chemical Name | 1-(2-chloro-6-(trifluoromethyl)pyridin-3-yl)ethanone |
| IUPAC Name | 1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C8H5ClF3NO/c1-4(14)5-2-3-6(8(10,11)12)13-7(5)9/h2-3H,1H3 |
| InChI Key | MQKHOUONYFMNDF-UHFFFAOYSA-N |
| MDL Number | MFCD10696225 |
| Molecular Formula | C8H5ClF3NO |
| Molecular Weight | 223.5796 |
| SMILES | CC(C1=C(Cl)N=C(C(F)(F)F)C=C1)=O |
| Synonyms | 944900-15-6,
1-(2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)ETHANONE,
1-[2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHAN-1-ONE,
SCHEMBL19616100,
MFCD10696225,
ZINC95642119,
AB56800,
AS-42715,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.579g/mol |
| Monoisotopic Mass | 223.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number