| CAS Number | 1086836-70-5 |
| Catalog Number | AG00HB82(AGN-PC-0WP1P5) |
| Chemical Name | 7-Chloro-5-(trifluoromethyl)-1H-benzotriazole |
| IUPAC Name | 4-chloro-6-(trifluoromethyl)-2H-benzotriazole |
| InChI | InChI=1S/C7H3ClF3N3/c8-4-1-3(7(9,10)11)2-5-6(4)13-14-12-5/h1-2H,(H,12,13,14) |
| InChI Key | SWXYNBPMJGFRGI-UHFFFAOYSA-N |
| MDL Number | MFCD28962790 |
| Molecular Formula | C7H3ClF3N3 |
| Molecular Weight | 221.5670 |
| SMILES | FC(C1=CC(Cl)=C(NN=N2)C2=C1)(F)F |
| Synonyms | 4-Chloro-6-(trifluoromethyl)-1,2,3-benzotriazole,
1086836-70-5,
SCHEMBL202917,
ZINC32499975,
AKOS005152000,
AKOS026672426,
4-chloro-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazole,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.567g/mol |
| Monoisotopic Mass | 220.997g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number