| CAS Number | 514798-00-6 |
| Catalog Number | AG00I97H(AGN-PC-0NED3S) |
| Chemical Name | 2,5-dichloro-3-fluoropyridine-4-carboxylic acid |
| IUPAC Name | 2,5-dichloro-3-fluoropyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H2Cl2FNO2/c7-2-1-10-5(8)4(9)3(2)6(11)12/h1H,(H,11,12) |
| InChI Key | XXKZEJNVNFYDAP-UHFFFAOYSA-N |
| MDL Number | MFCD20921504 |
| Molecular Formula | C6H2Cl2FNO2 |
| Molecular Weight | 209.9900 |
| SMILES | OC(C1=C(Cl)C=NC(Cl)=C1F)=O |
| Synonyms | 2,5-Dichloro-3-fluoroisonicotinic acid,
514798-00-6,
2,5-dichloro-3-fluoro-pyridine-4-carboxylic Acid,
ZINC34600005,
AKOS024262977,
W-4898,
2,5-Dichloro-3-fluoropyridine-4-carboxylic acid,
CID11009178,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.985g/mol |
| Monoisotopic Mass | 208.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number