| CAS Number | 1188907-26-7 |
| Catalog Number | AG00HESX(AGN-PC-0WR2T0) |
| Chemical Name | 4-Fluoro-4-methyl-3-oxopentanenitrile |
| IUPAC Name | 4-fluoro-4-methyl-3-oxopentanenitrile |
| InChI | InChI=1S/C6H8FNO/c1-6(2,7)5(9)3-4-8/h3H2,1-2H3 |
| InChI Key | CGEPRVBWGCYTOV-UHFFFAOYSA-N |
| MDL Number | MFCD24691691 |
| Molecular Formula | C6H8FNO |
| Molecular Weight | 129.1322 |
| SMILES | CC(C(CC#N)=O)(F)C |
| Synonyms | 4-fluoro-4-methyl-3-oxopentanenitrile,
1188907-26-7,
SCHEMBL1012319,
CGEPRVBWGCYTOV-UHFFFAOYSA-N,
MFCD24691691,
ZINC115029799,
AS-43019,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.134g/mol |
| Monoisotopic Mass | 129.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number