| CAS Number | 939909-22-5 |
| Catalog Number | AG019X2G |
| Chemical Name | 5-Acetamido-2-fluorobenzoic acid |
| IUPAC Name | 5-acetamido-2-fluorobenzoic acid |
| InChI | InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChI Key | HGFZDZZEWWPKIB-UHFFFAOYSA-N |
| MDL Number | MFCD12149159 |
| Molecular Formula | C9H8FNO3 |
| Molecular Weight | 197.1631 |
| SMILES | CC(NC1=CC(C(O)=O)=C(F)C=C1)=O |
| Synonyms | 5-acetamido-2-fluorobenzoic acid,
939909-22-5,
AC1Q1KMY,
SCHEMBL1655468,
CTK6A0710,
ZINC37500397,
AKOS005216499,
MCULE-2667422693,
NE15419,
EN300-53857,
Z364321922,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.165g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number