| CAS Number | 566926-38-3 |
| Catalog Number | AG01B1EY(AGN-PC-05FQYQ) |
| Chemical Name | 2-cyano-N-[(3-fluorophenyl)methyl]acetamide |
| IUPAC Name | 2-cyano-N-[(3-fluorophenyl)methyl]acetamide |
| InChI | InChI=1S/C10H9FN2O/c11-9-3-1-2-8(6-9)7-13-10(14)4-5-12/h1-3,6H,4,7H2,(H,13,14) |
| InChI Key | XOWWTVMFRJBSHO-UHFFFAOYSA-N |
| MDL Number | MFCD11192663 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | FC1=CC(CNC(CC#N)=O)=CC=C1 |
| Synonyms | 2-cyano-N-[(3-fluorophenyl)methyl]acetamide,
566926-38-3,
2-cyano-N-(3-fluorobenzyl)acetamide,
2-cyano-n-(3-fluoro-benzyl)-acetamide,
SCHEMBL2263457,
XOWWTVMFRJBSHO-UHFFFAOYSA-N,
ZINC20473702,
AKOS009259891,
MCULE-3264686992,
NE45245,
Z1688513408,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number