| CAS Number | 1256821-01-8 |
| Catalog Number | AG01B76W |
| Chemical Name | 1-[6-(Difluoromethyl)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(difluoromethyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C8H7F2NO/c1-5(12)6-2-3-7(8(9)10)11-4-6/h2-4,8H,1H3 |
| InChI Key | FENQJFWRNGFVHD-UHFFFAOYSA-N |
| MDL Number | MFCD18256461 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | CC(C1=CC=C(C(F)F)N=C1)=O |
| Synonyms | 1-[6-(DIFLUOROMETHYL)PYRIDIN-3-YL]ETHAN-1-ONE,
1256821-01-8,
SCHEMBL17823689,
ZINC95763675,
AKOS023600969,
AB74762,
1-(6-(DIFLUOROMETHYL)PYRIDIN-3-YL)ETHANONE,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.147g/mol |
| Monoisotopic Mass | 171.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number