| CAS Number | 913091-98-2 |
| Catalog Number | AG00IGL3(AGN-PC-0WAKDU) |
| Chemical Name | 6-(Difluoromethyl)nicotinic acid |
| IUPAC Name | 6-(difluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-10-5)7(11)12/h1-3,6H,(H,11,12) |
| InChI Key | YRYYIHGIWKUSPG-UHFFFAOYSA-N |
| MDL Number | MFCD16621992 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.1169 |
| SMILES | FC(c1ccc(cn1)C(=O)O)F |
| Synonyms | 913091-98-2,
6-(DIFLUOROMETHYL)NICOTINIC ACID,
6-(Difluoromethyl)-3-pyridinecarboxylic acid,
6-(DIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID,
6-Difluoromethyl-nicotinic acid,
DTXSID20717845,
6-?(difluoromethyl)?nicotinic acid,
MFCD16621992,
ZINC79387242,
AKOS023600970,
AB71409,
AS-54923,
2-(Difluoromethyl)pyridine-5-carboxylic acid,
3-Pyridinecarboxylic acid, 6-(difluoromethyl)-,
Z2472860066,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.119g/mol |
| Monoisotopic Mass | 173.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number