| CAS Number | 1215205-70-1 |
| Catalog Number | AG00155J(AGN-PC-0WAB8C) |
| Chemical Name | 5-Bromobenzothiazole-2-sulfonic acid |
| IUPAC Name | 5-bromo-1,3-benzothiazole-2-sulfonic acid |
| InChI | InChI=1S/C7H4BrNO3S2/c8-4-1-2-6-5(3-4)9-7(13-6)14(10,11)12/h1-3H,(H,10,11,12) |
| InChI Key | PQFRQZCBKYMUBY-UHFFFAOYSA-N |
| MDL Number | MFCD13195726 |
| Molecular Formula | C7H4BrNO3S2 |
| Molecular Weight | 294.1456 |
| SMILES | Brc1ccc2c(c1)nc(s2)S(=O)(=O)O |
| Synonyms | 5-BROMOBENZOTHIAZOLE-2-SULFONIC ACID,
1215205-70-1,
5-bromo-1,3-benzothiazole-2-sulfonic acid,
ACMC-209ac3,
CTK4B2427,
DTXSID30682070,
ANW-17665,
MFCD13195726,
ZINC40456666,
AKOS015834694,
2-Benzothiazolesulfonic acid, 5-bromo-,
TR-034541,
Z8361,
A-5447,
I01-11174,
C7H4BrNO3S2,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.137g/mol |
| Monoisotopic Mass | 292.882g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number