| CAS Number | 35592-95-1 |
| Catalog Number | AG01BCDO |
| Chemical Name | Trichloropyridine-3,5-dicarboxylic acid |
| IUPAC Name | 2,4,6-trichloropyridine-3,5-dicarboxylic acid |
| InChI | InChI=1S/C7H2Cl3NO4/c8-3-1(6(12)13)4(9)11-5(10)2(3)7(14)15/h(H,12,13)(H,14,15) |
| InChI Key | HVBUPKJCSNMDEO-UHFFFAOYSA-N |
| MDL Number | MFCD28954133 |
| Molecular Formula | C7H2Cl3NO4 |
| Molecular Weight | 270.4541 |
| SMILES | C1(=C(C(=C(N=C1Cl)Cl)C(=O)O)Cl)C(=O)O |
| Synonyms | trichloropyridine-3,5-dicarboxylic acid,
35592-95-1,
ZINC238852908,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.446g/mol |
| Monoisotopic Mass | 268.905g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number