| CAS Number | 1221171-91-0 |
| Catalog Number | AG0016RT(AGN-PC-0WAYBP) |
| Chemical Name | 6-Chloro-2-(trifluoromethoxy)nicotinic Acid |
| IUPAC Name | 6-chloro-2-(trifluoromethoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H3ClF3NO3/c8-4-2-1-3(6(13)14)5(12-4)15-7(9,10)11/h1-2H,(H,13,14) |
| InChI Key | OMGPEKLXZHLEDL-UHFFFAOYSA-N |
| MDL Number | MFCD22571781 |
| Molecular Formula | C7H3ClF3NO3 |
| Molecular Weight | 241.5518 |
| SMILES | FC(F)(F)OC1=C(C(O)=O)C=CC(Cl)=N1 |
| Synonyms | 6-chloro-2-(trifluoromethoxy)nicotinic acid,
1221171-91-0,
SCHEMBL2301805,
KS-00001PX5,
MFCD22571781,
ZINC95929117,
AKOS022168321,
BK-0716,
AK174166,
PC200447,
CS-0080641,
6-chloro-2-(trifluoromethoxy)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 6-chloro-2-(trifluoromethoxy)-,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.55g/mol |
| Monoisotopic Mass | 240.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number