| CAS Number | 59587-01-8 |
| Catalog Number | AG01A1CQ(AGN-PC-0029H9) |
| Chemical Name | 2-Chloro-4-[(dimethylcarbamoyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-4-(dimethylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15) |
| InChI Key | RXKVDCNQFKONLD-UHFFFAOYSA-N |
| MDL Number | MFCD14659074 |
| Molecular Formula | C10H11ClN2O3 |
| Molecular Weight | 242.6589 |
| SMILES | O=C(O)C1=CC=C(NC(N(C)C)=O)C=C1Cl |
| UNII | U6JCT6POEL |
| Synonyms | 2-chloro-4-[(dimethylcarbamoyl)amino]benzoic acid,
59587-01-8,
U6JCT6POEL,
UNII-U6JCT6POEL,
2-Chloro-4-((dimethylcarbamoyl)amino)benzoic acid,
enamine,
CGA-15140,
ZINC42417640,
AKOS010658489,
MCULE-7491776901,
NE30686,
2-Chloro-4-(dimethylcarbamoylamino)benzoic acid,
N-(3-Chloro-4-carboxyphenyl)-N',N'-dimethylurea,
Z1492781245,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.659g/mol |
| Monoisotopic Mass | 242.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number