| CAS Number | 37653-89-7 |
| Catalog Number | AG01C8Z6 |
| Chemical Name | 2-Chloro-4-[(methoxycarbonyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-4-(methoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C9H8ClNO4/c1-15-9(14)11-5-2-3-6(8(12)13)7(10)4-5/h2-4H,1H3,(H,11,14)(H,12,13) |
| InChI Key | VSFSPZWIWBTWIT-UHFFFAOYSA-N |
| MDL Number | MFCD14659023 |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.6171 |
| SMILES | COC(NC1=CC(Cl)=C(C(O)=O)C=C1)=O |
| Synonyms | 2-chloro-4-[(methoxycarbonyl)amino]benzoic acid,
37653-89-7,
SCHEMBL10033270,
ZINC42417421,
AKOS010658168,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.616g/mol |
| Monoisotopic Mass | 229.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number