| CAS Number | 849937-90-2 |
| Catalog Number | AG00G9R2(AGN-PC-0NHZZG) |
| Chemical Name | 2,4-Difluoronicotinic Acid |
| IUPAC Name | 2,4-difluoropyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H3F2NO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11) |
| InChI Key | AXAJZJNPIWNZAE-UHFFFAOYSA-N |
| MDL Number | MFCD09031030 |
| Molecular Formula | C6H3F2NO2 |
| Molecular Weight | 159.0903 |
| SMILES | OC(C1=C(F)N=CC=C1F)=O |
| Synonyms | 2,4-Difluoronicotinic acid,
849937-90-2,
2,4-Difluoro-nicotinic acid,
2,4-DIFLUOROPYRIDINE-3-CARBOXYLIC ACID,
SCHEMBL2114463,
CTK7I6302,
DTXSID50479222,
AXAJZJNPIWNZAE-UHFFFAOYSA-N,
ZINC21990767,
AKOS006289592,
AB49328,
AJ-79703,
3-Pyridinecarboxylic acid, 2,4-difluoro-,
2,4-DIFLUORO-3-PYRIDINECARBOXYLIC ACID,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.092g/mol |
| Monoisotopic Mass | 159.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number