| CAS Number | 900771-94-0 |
| Catalog Number | AG01BJAD(AGN-PC-0WON9E) |
| Chemical Name | 2-chloro-5-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid |
| IUPAC Name | 2-chloro-5-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid |
| InChI | InChI=1S/C13H12ClN3O2/c1-7-5-8(2)16-13(15-7)17-9-3-4-11(14)10(6-9)12(18)19/h3-6H,1-2H3,(H,18,19)(H,15,16,17) |
| InChI Key | GVVZIESYJZRTOE-UHFFFAOYSA-N |
| MDL Number | MFCD08111598 |
| Molecular Formula | C13H12ClN3O2 |
| Molecular Weight | 277.7063 |
| SMILES | CC1=NC(NC2=CC(C(O)=O)=C(Cl)C=C2)=NC(C)=C1 |
| Synonyms | 2-chloro-5-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid,
900771-94-0,
2-chloro-5-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid,
ZINC9239357,
STK317910,
AKOS000103364,
MCULE-2466507396,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.708g/mol |
| Monoisotopic Mass | 277.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number