| CAS Number | 566926-12-3 |
| Catalog Number | AG01B1F1(AGN-PC-01ASGA) |
| Chemical Name | 2-cyano-N-[(2-fluorophenyl)methyl]acetamide |
| IUPAC Name | 2-cyano-N-[(2-fluorophenyl)methyl]acetamide |
| InChI | InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14) |
| InChI Key | XSPYVXIGPJUWJH-UHFFFAOYSA-N |
| MDL Number | MFCD08076777 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | FC1=C(CNC(CC#N)=O)C=CC=C1 |
| Synonyms | 2-cyano-N-[(2-fluorophenyl)methyl]acetamide,
566926-12-3,
2-cyano-n-(2-fluoro-benzyl)-acetamide,
SCHEMBL2266698,
2-cyano-n-(2-fluorobenzyl)acetamide,
ZINC11948870,
AKOS000179270,
MCULE-4869292071,
NE45551,
Z1688497670,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.193g/mol |
| Monoisotopic Mass | 192.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number