| CAS Number | 1249754-47-9 |
| Catalog Number | AG01EKB3 |
| Chemical Name | 2-chloro-4-[(ethoxycarbonyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-4-(ethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C10H10ClNO4/c1-2-16-10(15)12-6-3-4-7(9(13)14)8(11)5-6/h3-5H,2H2,1H3,(H,12,15)(H,13,14) |
| InChI Key | HMTNYRXEKVKUJW-UHFFFAOYSA-N |
| MDL Number | MFCD14659022 |
| Molecular Formula | C10H10ClNO4 |
| Molecular Weight | 243.6437 |
| SMILES | CCOC(NC1=CC(Cl)=C(C(O)=O)C=C1)=O |
| Synonyms | ZINC42417419,
AKOS010658156,
2-chloro-4-[(ethoxycarbonyl)amino]benzoic acid,
1249754-47-9,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.643g/mol |
| Monoisotopic Mass | 243.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number