| CAS Number | 401-37-6 |
| Catalog Number | AG019X2H |
| Chemical Name | 3-Acetamido-4-fluorobenzoic acid |
| IUPAC Name | 3-acetamido-4-fluorobenzoic acid |
| InChI | InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChI Key | VOLGFCKUDWAJQS-UHFFFAOYSA-N |
| MDL Number | MFCD12149161 |
| Molecular Formula | C9H8FNO3 |
| Molecular Weight | 197.1631 |
| SMILES | CC(NC1=C(F)C=CC(C(O)=O)=C1)=O |
| Synonyms | 3-acetamido-4-fluorobenzoic acid,
401-37-6,
AC1Q1KK4,
SCHEMBL16234575,
CTK6A0657,
ZINC37500399,
AKOS009267705,
MCULE-3362518724,
NE15420,
EN300-53858,
Z364328788,
|
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number