| CAS Number | 876500-72-0 |
| Catalog Number | AG00GTVE(AGN-PC-0WAMFJ) |
| Chemical Name | 6-TRIFLUOROMETHOXYBENZOTHIAZOLE |
| IUPAC Name | 6-(trifluoromethoxy)-1,3-benzothiazole |
| InChI | InChI=1S/C8H4F3NOS/c9-8(10,11)13-5-1-2-6-7(3-5)14-4-12-6/h1-4H |
| InChI Key | DHITZHCZUWQDBD-UHFFFAOYSA-N |
| MDL Number | MFCD06659654 |
| Molecular Formula | C8H4F3NOS |
| Molecular Weight | 219.1837 |
| SMILES | FC(F)(F)OC1=CC=C2N=CSC2=C1 |
| Synonyms | 6-(Trifluoromethoxy)benzo[d]thiazole,
876500-72-0,
6-TRIFLUOROMETHOXYBENZOTHIAZOLE,
6-(trifluoromethoxy)-1,3-benzothiazole,
AK198628,
6-trifluoromethoxy benzothiazole,
SCHEMBL15281308,
DTXSID70696671,
MFCD06659654,
ZINC44713346,
Benzothiazole, 6-(trifluoromethoxy)-,
AKOS026673919,
DS-9907,
FCH1380246,
AX8326796,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.181g/mol |
| Monoisotopic Mass | 218.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number