| CAS Number | 1260642-93-0 |
| Catalog Number | AG009X31(AGN-PC-0WAAW6) |
| Chemical Name | 5-(Trifluoromethyl)-1H-benzo[d]imidazole HCl |
| IUPAC Name | 6-(trifluoromethyl)-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H5F3N2.ClH/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6;/h1-4H,(H,12,13);1H |
| InChI Key | UTXTYBVGNRTFLR-UHFFFAOYSA-N |
| MDL Number | MFCD08460609 |
| Molecular Formula | C8H6ClF3N2 |
| Molecular Weight | 222.5948 |
| NSC Number | 403000 |
| SMILES | FC(c1ccc2c(c1)nc[nH]2)(F)F.Cl |
| Synonyms | 1260642-93-0,
5-(Trifluoromethyl)-1H-benzo[d]imidazole HCl,
5-(Trifluoromethyl)-1H-benzo[d]imidazole hydrochloride,
C8H5F3N2.HCl,
NSC403000,
NSC-403000,
Z9028,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.595g/mol |
| Monoisotopic Mass | 222.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number