| CAS Number | 1184281-48-8 |
| Catalog Number | AG01AKZ2 |
| Chemical Name | 2-Chloro-5-(2-methylpropanamido)benzoic acid |
| IUPAC Name | 2-chloro-5-(2-methylpropanoylamino)benzoic acid |
| InChI | InChI=1S/C11H12ClNO3/c1-6(2)10(14)13-7-3-4-9(12)8(5-7)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | NXVWHIUQIANBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12516220 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | CC(C(NC1=CC(C(O)=O)=C(Cl)C=C1)=O)C |
| Synonyms | 2-chloro-5-(2-methylpropanamido)benzoic acid,
1184281-48-8,
ZINC37500402,
AKOS006025803,
MCULE-5637618905,
NE20609,
2-chloro-5-(isobutyrylamino)benzoic acid,
EN300-85719,
Z364361240,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number