| CAS Number | 91512-43-5 |
| Catalog Number | AG01AG4F(AGN-PC-00PSB7) |
| Chemical Name | 4-(1,3-Benzothiazol-2-yloxy)-3-chloroaniline |
| IUPAC Name | 4-(1,3-benzothiazol-2-yloxy)-3-chloroaniline |
| InChI | InChI=1S/C13H9ClN2OS/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2 |
| InChI Key | XYIVCTWDNVQHOJ-UHFFFAOYSA-N |
| MDL Number | MFCD11551154 |
| Molecular Formula | C13H9ClN2OS |
| Molecular Weight | 276.7414 |
| SMILES | NC1=CC(Cl)=C(OC2SC3=C(C=CC=C3)N=2)C=C1 |
| Synonyms | 4-(1,3-benzothiazol-2-yloxy)-3-chloroaniline,
91512-43-5,
ZINC36667384,
AKOS009393322,
MCULE-6196408522,
NE44505,
Z1744711555,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.738g/mol |
| Monoisotopic Mass | 276.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number