| CAS Number | 1153543-03-3 |
| Catalog Number | AG019RUN |
| Chemical Name | N-(5-amino-2-fluorophenyl)prop-2-enamide |
| IUPAC Name | N-(5-amino-2-fluorophenyl)prop-2-enamide |
| InChI | InChI=1S/C9H9FN2O/c1-2-9(13)12-8-5-6(11)3-4-7(8)10/h2-5H,1,11H2,(H,12,13) |
| InChI Key | QIKIAJNORQVISB-UHFFFAOYSA-N |
| MDL Number | MFCD12084107 |
| Molecular Formula | C9H9FN2O |
| Molecular Weight | 180.1790 |
| SMILES | C=CC(NC1=CC(N)=CC=C1F)=O |
| Synonyms | N-(5-amino-2-fluorophenyl)prop-2-enamide,
1153543-03-3,
SCHEMBL16095619,
ZINC36278090,
AKOS009617846,
MCULE-3453490296,
NE31476,
EN300-90540,
Z1281657970,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.182g/mol |
| Monoisotopic Mass | 180.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number