| CAS Number | 1403763-71-2 |
| Catalog Number | AG01DW0I |
| Chemical Name | methyl 4-bromo-2-chloro-1,3-benzothiazole-6-carboxylate |
| IUPAC Name | methyl 4-bromo-2-chloro-1,3-benzothiazole-6-carboxylate |
| InChI | InChI=1S/C9H5BrClNO2S/c1-14-8(13)4-2-5(10)7-6(3-4)15-9(11)12-7/h2-3H,1H3 |
| InChI Key | PHFCEUOOJPKEGR-UHFFFAOYSA-N |
| MDL Number | MFCD28967994 |
| Molecular Formula | C9H5BrClNO2S |
| Molecular Weight | 306.5635 |
| SMILES | COC(C1=CC2=C(N=C(S2)Cl)C(Br)=C1)=O |
| Synonyms | AKOS027427443,
methyl 4-bromo-2-chloro-1,3-benzothiazole-6-carboxylate,
1403763-71-2,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.558g/mol |
| Monoisotopic Mass | 304.891g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number