| CAS Number | 1352796-64-5 |
| Catalog Number | AG01C34V |
| Chemical Name | 4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-BENZOTHIAZOLE |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole |
| InChI | InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-6-5-7-10-11(9)15-8-18-10/h5-8H,1-4H3 |
| InChI Key | ZDYAYCZYNMMQMJ-UHFFFAOYSA-N |
| MDL Number | MFCD16996159 |
| Molecular Formula | C13H16BNO2S |
| Molecular Weight | 261.1476 |
| SMILES | CC1(C)C(C)(C)OB(C2=C3N=CSC3=CC=C2)O1 |
| Synonyms | 1352796-64-5,
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole,
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]THIAZOLE,
SCHEMBL476865,
ZDYAYCZYNMMQMJ-UHFFFAOYSA-N,
ZINC203568861,
MB20033,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.146g/mol |
| Monoisotopic Mass | 261.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number