| CAS Number | 144631-82-3 |
| Catalog Number | AG01A1YI(AGN-PC-0N1M2T) |
| Chemical Name | 4-Bromo-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-bromo-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H4BrF3N2OS/c9-4-1-3(15-8(10,11)12)2-5-6(4)14-7(13)16-5/h1-2H,(H2,13,14) |
| InChI Key | UGMJJOPHHBHLNL-UHFFFAOYSA-N |
| MDL Number | MFCD22565986 |
| Molecular Formula | C8H4BrF3N2OS |
| Molecular Weight | 313.0944 |
| SMILES | NC(S1)=NC2=C1C=C(OC(F)(F)F)C=C2Br |
| Synonyms | 4-bromo-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine,
144631-82-3,
4-Bromo-2-amino-6-trifluoromethoxybenzothiazole,
SCHEMBL9185915,
ZINC38440818,
AKOS016972836,
MCULE-1304399460,
NE16967,
2-Benzothiazolamine, 4-bromo-6-(trifluoromethoxy)-,
Z1495385188,
CID10267556,
2-Benzothiazolamine,4-bromo-6-(trifluoromethoxy)-,
4-bromo-6-(trifluoromethoxy)benzothiazol-2-amine,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.092g/mol |
| Monoisotopic Mass | 311.918g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number