| CAS Number | 106791-37-1 |
| Catalog Number | AG008T2F(AGN-PC-0NWGSV) |
| Chemical Name | 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-METHYLSULFONYL-1H-BENZIMIDAZOLE |
| IUPAC Name | 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole |
| InChI | InChI=1S/C14H9Cl3N2O3S/c1-23(20,21)14-18-9-5-8(16)12(6-10(9)19-14)22-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) |
| InChI Key | ZEIHWBIRYIXBSV-UHFFFAOYSA-N |
| MDL Number | MFCD28969705 |
| Molecular Formula | C14H9Cl3N2O3S |
| Molecular Weight | 391.6569 |
| SMILES | CS(=O)(=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 |
| Synonyms | Triclabendazole sulfone,
106791-37-1,
5-chloro-6-(2,3-dichlorophenoxy)-2-(methylsulfonyl)-1H-benzo[d]imidazole,
5-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole,
Triclabendazole-sulfone,
DTXSID60438406,
5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylsulfonyl)-1H-benzimidazole,
ZINC38558341,
API0018882,
C14H9Cl3N2O3S,
CID10340439,
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole,
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzoimidazole,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.647g/mol |
| Monoisotopic Mass | 389.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number