| CAS Number | 1027818-88-7 |
| Catalog Number | AG008WI8(AGN-PC-0WAA7A) |
| Chemical Name | 4-Chloro-5-iodo-alpha,alpha,alpha-trifluoro-2-picoline |
| IUPAC Name | 4-chloro-5-iodo-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2ClF3IN/c7-3-1-5(6(8,9)10)12-2-4(3)11/h1-2H |
| InChI Key | OTNLJEHWSRSJGX-UHFFFAOYSA-N |
| MDL Number | MFCD24369746 |
| Molecular Formula | C6H2ClF3IN |
| Molecular Weight | 307.4395 |
| SMILES | C1=C(C(=CN=C1C(F)(F)F)I)Cl |
| Synonyms | 4-chloro-5-iodo-2-(trifluoromethyl)pyridine,
1027818-88-7,
4-Chloro-2-(trifluoromethyl)-5-iodopyridine,
SCHEMBL3713174,
OTNLJEHWSRSJGX-UHFFFAOYSA-N,
ZX-AP001317,
MFCD24369746,
ZINC94986211,
FCH2337266,
PC51212,
C-0351,
Pyridine, 4-chloro-5-iodo-2-(trifluoromethyl)-,
AS-813/43501866,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.439g/mol |
| Monoisotopic Mass | 306.887g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number