| CAS Number | 860296-21-5 |
| Catalog Number | AG01A4I0(AGN-PC-0WO6RS) |
| Chemical Name | 4-Chloro-3-fluoropyridine-2-carboxylic acid |
| IUPAC Name | 4-chloro-3-fluoropyridine-2-carboxylic acid |
| InChI | InChI=1S/C6H3ClFNO2/c7-3-1-2-9-5(4(3)8)6(10)11/h1-2H,(H,10,11) |
| InChI Key | LNKODIBGKHYUKU-UHFFFAOYSA-N |
| MDL Number | MFCD16249576 |
| Molecular Formula | C6H3ClFNO2 |
| Molecular Weight | 175.5449 |
| SMILES | O=C(O)C1=NC=CC(Cl)=C1F |
| Synonyms | 860296-21-5,
4-CHLORO-3-FLUOROPICOLINIC ACID,
4-CHLORO-3-FLUOROPYRIDINE-2-CARBOXYLIC ACID,
SCHEMBL15060252,
MFCD16249576,
ZINC95611716,
AKOS022184868,
AB70765,
NE46510,
AS-54459,
AJ-132747,
2-Pyridinecarboxylic acid, 4-chloro-3-fluoro-,
F8889-3340,
ACN-056303,
CID11469373,
4-chloro-3-fluoro-pyridine-2-carboxylic Acid,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.543g/mol |
| Monoisotopic Mass | 174.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number