| CAS Number | 59587-02-9 |
| Catalog Number | AG01C4BT(AGN-PC-0029HA) |
| Chemical Name | 2-chloro-4-[(methylcarbamoyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-4-(methylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C9H9ClN2O3/c1-11-9(15)12-5-2-3-6(8(13)14)7(10)4-5/h2-4H,1H3,(H,13,14)(H2,11,12,15) |
| InChI Key | LJAJRCUYEXXYQA-UHFFFAOYSA-N |
| MDL Number | MFCD14659073 |
| Molecular Formula | C9H9ClN2O3 |
| Molecular Weight | 228.6324 |
| SMILES | CNC(NC1=CC(Cl)=C(C(O)=O)C=C1)=O |
| Synonyms | 2-chloro-4-[(methylcarbamoyl)amino]benzoic acid,
59587-02-9,
AKOS010658464,
2-chloro-4-(3-methylureido)benzoic acid,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.632g/mol |
| Monoisotopic Mass | 228.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number