| CAS Number | 1153235-86-9 |
| Catalog Number | AG01AIBT |
| Chemical Name | 2-Fluoro-6-(2-methylpropanamido)benzoic acid |
| IUPAC Name | 2-fluoro-6-(2-methylpropanoylamino)benzoic acid |
| InChI | InChI=1S/C11H12FNO3/c1-6(2)10(14)13-8-5-3-4-7(12)9(8)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | LWCRVNLCHGGQKW-UHFFFAOYSA-N |
| MDL Number | MFCD12171304 |
| Molecular Formula | C11H12FNO3 |
| Molecular Weight | 225.2163 |
| SMILES | CC(C(NC1=C(C(O)=O)C(F)=CC=C1)=O)C |
| Synonyms | 2-fluoro-6-(2-methylpropanamido)benzoic acid,
1153235-86-9,
ZINC35305854,
AKOS008132915,
MCULE-1885990853,
NE36671,
EN300-77346,
Z1259339938,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.080121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.22g/mol |
| Monoisotopic Mass | 225.080121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number