| CAS Number | 864376-14-7 |
| Catalog Number | AG01AMR4(AGN-PC-03ZAIR) |
| Chemical Name | 2-Iodo-4-(Trifluoromethyl)-1,3-Thiazole |
| IUPAC Name | 2-iodo-4-(trifluoromethyl)-1,3-thiazole |
| InChI | InChI=1S/C4HF3INS/c5-4(6,7)2-1-10-3(8)9-2/h1H |
| InChI Key | NEZIEJBZBMSGDB-UHFFFAOYSA-N |
| MDL Number | MFCD16659204 |
| Molecular Formula | C4HF3INS |
| Molecular Weight | 279.0221 |
| SMILES | FC(C1=CSC(I)=N1)(F)F |
| Synonyms | 864376-14-7,
2-Iodo-4-(trifluoromethyl)-1,3-thiazole,
2-iodo-4-(trifluoromethyl)Thiazole,
SCHEMBL3035841,
ZINC59827130,
Thiazole, 2-iodo-4-(trifluoromethyl)-,
SC-88394,
DB-076638,
FT-0732965,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.019g/mol |
| Monoisotopic Mass | 278.883g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number