| CAS Number | 1221171-95-4 |
| Catalog Number | AG0016RQ(AGN-PC-0WCMEA) |
| Chemical Name | Pyridine, 6-chloro-3-iodo-2-(trifluoromethoxy)- |
| IUPAC Name | 6-chloro-3-iodo-2-(trifluoromethoxy)pyridine |
| InChI | InChI=1S/C6H2ClF3INO/c7-4-2-1-3(11)5(12-4)13-6(8,9)10/h1-2H |
| InChI Key | AFPPAOOKEWWCBK-UHFFFAOYSA-N |
| MDL Number | MFCD22571777 |
| Molecular Formula | C6H2ClF3INO |
| Molecular Weight | 323.4389 |
| SMILES | FC(F)(F)OC1=NC(Cl)=CC=C1I |
| Synonyms | 6-chloro-3-iodo-2-(trifluoromethoxy)pyridine,
1221171-95-4,
SCHEMBL2300810,
MFCD22571777,
ZINC98211559,
AKOS025396398,
FCH2290287,
AK174167,
AS-32951,
PC421024,
CS-0080630,
2-chloro-5-iodo-6-(trifluoromethoxy)pyridine,
Pyridine, 6-chloro-3-iodo-2-(trifluoromethoxy)-,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.438g/mol |
| Monoisotopic Mass | 322.882g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number