| CAS Number | 392-38-1 |
| Catalog Number | AG01FR16(AGN-PC-3H5PD3) |
| Chemical Name | 4-Methoxy-2-(trifluoromethyl)-1h-benzo[d]imidazole |
| IUPAC Name | 4-methoxy-2-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C9H7F3N2O/c1-15-6-4-2-3-5-7(6)14-8(13-5)9(10,11)12/h2-4H,1H3,(H,13,14) |
| InChI Key | CFCZQLDVZBJWOA-UHFFFAOYSA-N |
| MDL Number | MFCD24395801 |
| Molecular Formula | C9H7F3N2O |
| Molecular Weight | 216.1599 |
| SMILES | |
| Synonyms | 4-methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole,
392-38-1,
SCHEMBL2841363,
CFCZQLDVZBJWOA-UHFFFAOYSA-N,
ZINC76214000,
4-Methoxy-2-trifluoromethylbenzimidazole,
7-methoxy-2-trifluoromethylbenzimidazole,
PC501481,
AX8276891,
4-methoxy-2-trifluoromethyl-1h-benzimidazole,
4-methoxy-2-(trifluoromethyl)-1H-benzimidazole,
1h-benzimidazole,7-methoxy-2-(trifluoromethyl)-,
2-(Trifluoromethyl)-4-methoxy-1H-benzoimidazole,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.051047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.16g/mol |
| Monoisotopic Mass | 216.051047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number