| CAS Number | 1157060-76-8 |
| Catalog Number | AG01AAAL |
| Chemical Name | 3-[(4-Cyano-2-fluorophenyl)amino]propanamide |
| IUPAC Name | 3-(4-cyano-2-fluoroanilino)propanamide |
| InChI | InChI=1S/C10H10FN3O/c11-8-5-7(6-12)1-2-9(8)14-4-3-10(13)15/h1-2,5,14H,3-4H2,(H2,13,15) |
| InChI Key | KCBFFWYRUGWXBJ-UHFFFAOYSA-N |
| MDL Number | MFCD12110080 |
| Molecular Formula | C10H10FN3O |
| Molecular Weight | 207.2043 |
| SMILES | NC(CCNC1=C(F)C=C(C#N)C=C1)=O |
| Synonyms | 3-[(4-cyano-2-fluorophenyl)amino]propanamide,
1157060-76-8,
EN300-67650,
AC1Q4ZN7,
ZINC37412654,
AKOS009852313,
MCULE-8766314513,
NE55630,
Z1695783894,
3-[(4-cyano-2-fluorophenyl)amino]propanamide, AldrichCPR,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.208g/mol |
| Monoisotopic Mass | 207.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number