| CAS Number | 1250075-49-0 |
| Catalog Number | AG01A1X4 |
| Chemical Name | 2-chloro-5-[(dimethylcarbamoyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-5-(dimethylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-8(11)7(5-6)9(14)15/h3-5H,1-2H3,(H,12,16)(H,14,15) |
| InChI Key | VSIRVBZUTZORMG-UHFFFAOYSA-N |
| MDL Number | MFCD14596153 |
| Molecular Formula | C10H11ClN2O3 |
| Molecular Weight | 242.6589 |
| SMILES | CN(C(NC1=CC(C(O)=O)=C(Cl)C=C1)=O)C |
| Synonyms | 2-chloro-5-[(dimethylcarbamoyl)amino]benzoic acid,
1250075-49-0,
ZINC40558955,
AKOS010443014,
MCULE-7830209969,
NE40652,
Z1511514253,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.04582g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.66g/mol |
| Monoisotopic Mass | 242.04582g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number