| CAS Number | 235781-28-9 |
| Catalog Number | AG00BNV0 |
| Chemical Name | 2-(Bromodifluoromethyl)benzo[d]thiazole |
| IUPAC Name | 2-[bromo(difluoro)methyl]-1,3-benzothiazole |
| InChI | InChI=1S/C8H4BrF2NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H |
| InChI Key | QCBOHSNZPINPFB-UHFFFAOYSA-N |
| MDL Number | MFCD09264133 |
| Molecular Formula | C8H4BrF2NS |
| Molecular Weight | 264.0899 |
| SMILES | FC(c1nc2c(s1)cccc2)(Br)F |
| Synonyms | 2-(Bromodifluoromethyl)benzo[d]thiazole,
235781-28-9,
2-(Bromodifluoromethyl)benzothiazole,
ZINC21981629,
AKOS022177363,
Benzothiazole, 2-(bromodifluoromethyl)-,
AJ-78868,
2-[bromo(difluoro)methyl]-1,3-benzothiazole,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.088g/mol |
| Monoisotopic Mass | 262.922g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number