| CAS Number | 1423033-54-8 |
| Catalog Number | AG01A1UN(AGN-PC-0WOWO2) |
| Chemical Name | 5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-amine hydrochloride |
| IUPAC Name | 6-(trifluoromethyl)-1H-benzimidazol-2-amine;hydrochloride |
| InChI | InChI=1S/C8H6F3N3.ClH/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5;/h1-3H,(H3,12,13,14);1H |
| InChI Key | PTJJIMFXQHLHNJ-UHFFFAOYSA-N |
| MDL Number | MFCD22565955 |
| Molecular Formula | C8H7ClF3N3 |
| Molecular Weight | 237.6095 |
| SMILES | Cl.FC(C1=CC2=C(NC(=N2)N)C=C1)(F)F |
| Synonyms | 5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine hydrochloride,
1423033-54-8,
AKOS026745313,
MCULE-1721695797,
NE29307,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.61g/mol |
| Monoisotopic Mass | 237.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number