| CAS Number | 1227945-07-4 |
| Catalog Number | AG01C7C8 |
| Chemical Name | 4-Chloropyridine-2,5-dicarboxylic acid |
| IUPAC Name | 4-chloropyridine-2,5-dicarboxylic acid |
| InChI | InChI=1S/C7H4ClNO4/c8-4-1-5(7(12)13)9-2-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13) |
| InChI Key | KXNBJIIPZFBSPA-UHFFFAOYSA-N |
| MDL Number | MFCD18250759 |
| Molecular Formula | C7H4ClNO4 |
| Molecular Weight | 201.5640 |
| SMILES | ClC1=CC(=NC=C1C(=O)O)C(=O)O |
| Synonyms | 4-CHLOROPYRIDINE-2,5-DICARBOXYLIC ACID,
1227945-07-4,
2,5-Pyridinedicarboxylic acid, 4-chloro-,
SCHEMBL3240453,
AB73605,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.562g/mol |
| Monoisotopic Mass | 200.983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number