| CAS Number | 1016770-89-0 |
| Catalog Number | AG01A4BP |
| Chemical Name | 3-(3-Fluoro-4-methylphenyl)-3-oxopropanenitrile |
| IUPAC Name | 3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile |
| InChI | InChI=1S/C10H8FNO/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,6H,4H2,1H3 |
| InChI Key | FGZGIINFPPEXEQ-UHFFFAOYSA-N |
| MDL Number | MFCD09934420 |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.1750 |
| SMILES | CC1=C(F)C=C(C(CC#N)=O)C=C1 |
| Synonyms | 3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile,
1016770-89-0,
3-(3-fluoro-4-methylphenyl]-3-oxopropanenitrile,
MFCD09934420,
ZINC19440598,
AKOS000178508,
NE54041,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.178g/mol |
| Monoisotopic Mass | 177.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number