| CAS Number | 70413-91-1 |
| Catalog Number | AG01AIH9(AGN-PC-0KL9IX) |
| Chemical Name | 2-Acetamido-6-fluorobenzoic acid |
| IUPAC Name | 2-acetamido-6-fluorobenzoic acid |
| InChI | InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChI Key | IWTHKNXLQDASPO-UHFFFAOYSA-N |
| MDL Number | MFCD00275718 |
| Molecular Formula | C9H8FNO3 |
| Molecular Weight | 197.1631 |
| SMILES | CC(NC1=C(C(O)=O)C(F)=CC=C1)=O |
| Synonyms | 2-acetamido-6-fluorobenzoic acid,
70413-91-1,
Maybridge1_001164,
2-acetylamino-6-fluorobenzoic acid,
AC1MDZQT,
Oprea1_499164,
SCHEMBL6996812,
HMS544M20,
ZINC166840,
AKOS009478175,
MCULE-2774923956,
NE23566,
EN300-77811,
Z1229798311,
CID2798306,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number