| CAS Number | 860296-20-4 |
| Catalog Number | AG00IDV8(AGN-PC-0WD574) |
| Chemical Name | 4-Chloro-5-fluoronicotinic acid |
| IUPAC Name | 4-chloro-5-fluoropyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H3ClFNO2/c7-5-3(6(10)11)1-9-2-4(5)8/h1-2H,(H,10,11) |
| InChI Key | SDRWXOCHMBWAAW-UHFFFAOYSA-N |
| MDL Number | MFCD18257385 |
| Molecular Formula | C6H3ClFNO2 |
| Molecular Weight | 175.5449 |
| SMILES | C(=O)(O)c1c(Cl)c(F)cnc1 |
| Synonyms | 4-CHLORO-5-FLUORONICOTINIC ACID,
860296-20-4,
4-CHLORO-5-FLUOROPYRIDINE-3-CARBOXYLIC ACID,
3-Pyridinecarboxylic acid, 4-chloro-5-fluoro-,
SCHEMBL2563320,
4-chloro-5-fluoro-nicotinic acid,
SDRWXOCHMBWAAW-UHFFFAOYSA-N,
MFCD18257385,
ZINC95611718,
AKOS022187953,
AB74905,
AJ-132749,
CID11457988,
4-chloro-5-fluoro-pyridine-3-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 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number