| CAS Number | 1155153-85-7 |
| Catalog Number | AG01AF95 |
| Chemical Name | N-(2-cyano-3-fluorophenyl)propanamide |
| IUPAC Name | N-(2-cyano-3-fluorophenyl)propanamide |
| InChI | InChI=1S/C10H9FN2O/c1-2-10(14)13-9-5-3-4-8(11)7(9)6-12/h3-5H,2H2,1H3,(H,13,14) |
| InChI Key | BBCVJKRDVRMSSY-UHFFFAOYSA-N |
| MDL Number | MFCD12142487 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | CCC(NC1=C(C#N)C(F)=CC=C1)=O |
| Synonyms | N-(2-cyano-3-fluorophenyl)propanamide,
1155153-85-7,
ZINC36139160,
AKOS009596484,
NE44521,
|
| Complexity | 258 |
| 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 | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number