| CAS Number | 131106-70-2 |
| Catalog Number | AG009C42(AGN-PC-002ML7) |
| Chemical Name | 6-TRIFLUOROMETHYLBENZOTHIAZOLE |
| IUPAC Name | 6-(trifluoromethyl)-1,3-benzothiazole |
| InChI | InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H |
| InChI Key | BULNNISVPSQIFO-UHFFFAOYSA-N |
| MDL Number | MFCD06659653 |
| Molecular Formula | C8H4F3NS |
| Molecular Weight | 203.1843 |
| SMILES | FC(F)(F)C1=CC=C2N=CSC2=C1 |
| Synonyms | 131106-70-2,
6-(trifluoromethyl)benzo[d]thiazole,
6-TRIFLUOROMETHYLBENZOTHIAZOLE,
6-(trifluoromethyl)benzothiazole,
6-(Trifluoromethyl)-1,3-benzothiazole,
6-trifluoromethyl-benzothiazole,
SCHEMBL979232,
DTXSID60564279,
ZINC34370426,
AJ-88204,
6-(Trifluoromethyl)benzo[d]thiazole, 97% - 10MG 10mg,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.182g/mol |
| Monoisotopic Mass | 203.002g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number