| CAS Number | 1092346-60-5 |
| Catalog Number | AG00958U(AGN-PC-0WAY6H) |
| Chemical Name | 4,6-Bis-trifluoroMethyl-pyridine-2-carboxylic acid |
| IUPAC Name | 4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H3F6NO2/c9-7(10,11)3-1-4(6(16)17)15-5(2-3)8(12,13)14/h1-2H,(H,16,17) |
| InChI Key | VZBWSFCHRAYUMY-UHFFFAOYSA-N |
| MDL Number | MFCD11501727 |
| Molecular Formula | C8H3F6NO2 |
| Molecular Weight | 259.1053 |
| SMILES | FC(F)(F)C1=NC(C(O)=O)=CC(C(F)(F)F)=C1 |
| Synonyms | 4,6-bis(trifluoromethyl)-2-pyridinecarboxylic acid,
1092346-60-5,
4,6-BIS(TRIFLUOROMETHYL)PICOLINIC ACID,
SCHEMBL12097960,
VZBWSFCHRAYUMY-UHFFFAOYSA-N,
MFCD11501727,
ZINC22996459,
AKOS015993878,
AB64087,
BA-0802,
MCULE-8075339310,
KS-000022S8,
4,6-bis(trifluoromethyl)pyridine-2-carboxylic acid,
4,6-BIS-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXYLIC ACID,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.107g/mol |
| Monoisotopic Mass | 259.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number