| CAS Number | 1432679-90-7 |
| Catalog Number | AG01A50D(AGN-PC-0WO4UW) |
| Chemical Name | 1-(5-Fluoropyridin-2-yl)-2-methylpropan-1-one |
| IUPAC Name | 1-(5-fluoropyridin-2-yl)-2-methylpropan-1-one |
| InChI | InChI=1S/C9H10FNO/c1-6(2)9(12)8-4-3-7(10)5-11-8/h3-6H,1-2H3 |
| InChI Key | NVVRXRQWTDFBDX-UHFFFAOYSA-N |
| MDL Number | MFCD23753562 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | CC(C(C1=NC=C(F)C=C1)=O)C |
| Synonyms | 1-(5-fluoropyridin-2-yl)-2-methylpropan-1-one,
1432679-90-7,
SCHEMBL12780506,
ZINC86704373,
AKOS018279027,
NE41837,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.183g/mol |
| Monoisotopic Mass | 167.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number