| CAS Number | 960535-41-5 |
| Catalog Number | AG01DWXD |
| Chemical Name | 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole |
| IUPAC Name | 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole |
| InChI | InChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H |
| InChI Key | BTYMVNZOAAXVQP-UHFFFAOYSA-N |
| MDL Number | MFCD09748619 |
| Molecular Formula | C7H2BrClFNS |
| Molecular Weight | 266.5179 |
| SMILES | FC1=C2C(SC(=N2)Cl)=CC(Br)=C1 |
| Synonyms | 6-bromo-2-chloro-4-fluorobenzo[d]thiazole,
960535-41-5,
6-BROMO-2-CHLORO-4-FLUOROBENZOTHIAZOLE,
SCHEMBL12210694,
ZINC200177745,
Benzothiazole, 6-bromo-2-chloro-4-fluoro-,
CS-0067209,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.87639g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.52g/mol |
| Monoisotopic Mass | 264.87639g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number