| CAS Number | 1073056-22-0 |
| Catalog Number | AG01DX9W |
| Chemical Name | 4-(2-fluoro-1-hydroxyethyl)benzonitrile |
| IUPAC Name | 4-(2-fluoro-1-hydroxyethyl)benzonitrile |
| InChI | InChI=1S/C9H8FNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4,9,12H,5H2 |
| InChI Key | YWDWJWQHEJOOSI-UHFFFAOYSA-N |
| MDL Number | MFCD31666888 |
| Molecular Formula | C9H8FNO |
| Molecular Weight | 165.1643 |
| SMILES | OC(C1=CC=C(C#N)C=C1)CF |
| Synonyms | 4-(2-fluoro-1-hydroxyethyl)benzonitrile,
1073056-22-0,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.167g/mol |
| Monoisotopic Mass | 165.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number