| CAS Number | 53483-66-2 |
| Catalog Number | AG00DBPW(AGN-PC-0SFB4R) |
| Chemical Name | 1-METHYL-5-TRIFLUOROMETHYLBENZIMIDAZOLE |
| IUPAC Name | 1-methyl-5-(trifluoromethyl)benzimidazole |
| InChI | InChI=1S/C9H7F3N2/c1-14-5-13-7-4-6(9(10,11)12)2-3-8(7)14/h2-5H,1H3 |
| InChI Key | FZMXBWXWQILZPU-UHFFFAOYSA-N |
| MDL Number | MFCD01861887 |
| Molecular Formula | C9H7F3N2 |
| Molecular Weight | 200.1605 |
| SMILES | Cn1cnc2c1ccc(c2)C(F)(F)F |
| Synonyms | 53483-66-2,
1-Methyl-5-trifluoromethylbenzimidazole,
1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazole,
1-methyl-5-(trifluoromethyl)benzimidazole,
PubChem6713,
SCHEMBL2570814,
CTK8J1015,
DTXSID80617690,
ZINC2386357,
AKOS002662595,
AS07073,
FT-0608077,
1-Methyl-5-(trifluoromethyl)-1H-benzimidazole,
A829620,
1-methyl-5-(trifluoromethyl)-1H-1,3-benzodiazole,
I14-3886,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.164g/mol |
| Monoisotopic Mass | 200.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number