| CAS Number | 380346-66-7 |
| Catalog Number | AG019H2N |
| Chemical Name | Benzothiazol-2-yl-(2-chloro-5-trifluoromethyl-phenyl)-amine |
| IUPAC Name | N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H8ClF3N2S/c15-9-6-5-8(14(16,17)18)7-11(9)20-13-19-10-3-1-2-4-12(10)21-13/h1-7H,(H,19,20) |
| InChI Key | LOVORZNOYBEBEB-UHFFFAOYSA-N |
| MDL Number | MFCD02725655 |
| Molecular Formula | C14H8ClF3N2S |
| Molecular Weight | 328.7399 |
| SMILES | FC(C1=CC(NC2SC3=C(C=CC=C3)N=2)=C(Cl)C=C1)(F)F |
| Synonyms | N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine,
380346-66-7,
Benzothiazol-2-yl-(2-chloro-5-trifluoromethyl-phenyl)-amine,
AC1M5SGY,
AC1Q4J0T,
CTK6H1266,
ZINC3268247,
AKOS000115509,
MCULE-1218885370,
NE52795,
EN300-02342,
Z55176267,
benzothiazol-2-yl-(2-chloro-5-trifluoromethylphenyl)amine,
ZINC03268247,
CID2384595,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.737g/mol |
| Monoisotopic Mass | 328.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number