| CAS Number | 1183740-54-6 |
| Catalog Number | AG019R0P |
| Chemical Name | 2,4-difluoro-5-(2-methylpropanamido)benzoic acid |
| IUPAC Name | 2,4-difluoro-5-(2-methylpropanoylamino)benzoic acid |
| InChI | InChI=1S/C11H11F2NO3/c1-5(2)10(15)14-9-3-6(11(16)17)7(12)4-8(9)13/h3-5H,1-2H3,(H,14,15)(H,16,17) |
| InChI Key | ZGVYKILXYSAKML-UHFFFAOYSA-N |
| MDL Number | MFCD12567870 |
| Molecular Formula | C11H11F2NO3 |
| Molecular Weight | 243.2067 |
| SMILES | CC(C(NC1=C(F)C=C(F)C(C(O)=O)=C1)=O)C |
| Synonyms | 2,4-difluoro-5-(2-methylpropanamido)benzoic acid,
1183740-54-6,
ZINC37403604,
AKOS008117546,
MCULE-9601672189,
NE51486,
EN300-88822,
Z364341804,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.21g/mol |
| Monoisotopic Mass | 243.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number