| CAS Number | 1260672-42-1 |
| Catalog Number | AG01C3HQ |
| Chemical Name | 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C4H2ClF3N2S/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2 |
| InChI Key | ITNASIFWWJRCED-UHFFFAOYSA-N |
| MDL Number | MFCD18250340 |
| Molecular Formula | C4H2ClF3N2S |
| Molecular Weight | 202.5853 |
| SMILES | FC(C1SC(CCl)=NN=1)(F)F |
| Synonyms | 2-(CHLOROMETHYL)-5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOLE,
1260672-42-1,
SCHEMBL7999482,
ZINC95762271,
AKOS026732201,
AB72793,
2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.579g/mol |
| Monoisotopic Mass | 201.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number