| CAS Number | 1183985-90-1 |
| Catalog Number | AG01DT82(AGN-PC-0DOJJM) |
| Chemical Name | 5-(carbamoylamino)-2-chlorobenzoic acid |
| IUPAC Name | 5-(carbamoylamino)-2-chlorobenzoic acid |
| InChI | InChI=1S/C8H7ClN2O3/c9-6-2-1-4(11-8(10)14)3-5(6)7(12)13/h1-3H,(H,12,13)(H3,10,11,14) |
| InChI Key | FTEUNQDHAWIUHT-UHFFFAOYSA-N |
| MDL Number | MFCD12165097 |
| Molecular Formula | C8H7ClN2O3 |
| Molecular Weight | 214.6058 |
| SMILES | NC(NC1=CC(C(O)=O)=C(Cl)C=C1)=O |
| Synonyms | 5-(carbamoylamino)-2-chlorobenzoic acid,
1183985-90-1,
AKOS010080376,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.605g/mol |
| Monoisotopic Mass | 214.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number