| CAS Number | 1256788-49-4 |
| Catalog Number | AG019ZKG(AGN-PC-0WO8ZR) |
| Chemical Name | 1-[2-(DIFLUOROMETHYL)PYRIDIN-4-YL]ETHAN-1-ONE |
| IUPAC Name | 1-[2-(difluoromethyl)pyridin-4-yl]ethanone |
| InChI | InChI=1S/C8H7F2NO/c1-5(12)6-2-3-11-7(4-6)8(9)10/h2-4,8H,1H3 |
| InChI Key | TYLZKBGNHNAPDG-UHFFFAOYSA-N |
| MDL Number | MFCD18257238 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | CC(=O)C1C=CN=C(C(F)F)C=1 |
| Synonyms | 1256788-49-4,
1-(2-(Difluoromethyl)pyridin-4-yl)ethanone,
1-[2-(difluoromethyl)pyridin-4-yl]ethan-1-one,
Ethanone, 1-[2-(difluoromethyl)-4-pyridinyl]-,
SCHEMBL12136051,
ZINC95829447,
AKOS017342910,
NE57806,
AK00740529,
|
| 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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