| CAS Number | 1256956-70-3 |
| Catalog Number | AG01E894(AGN-PC-0WO7E2) |
| Chemical Name | 5-Bromo-2-(difluoromethyl)-1H-benzimidazole |
| IUPAC Name | 6-bromo-2-(difluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H5BrF2N2/c9-4-1-2-5-6(3-4)13-8(12-5)7(10)11/h1-3,7H,(H,12,13) |
| InChI Key | DNVWMFVLIONESY-UHFFFAOYSA-N |
| MDL Number | MFCD20403496 |
| Molecular Formula | C8H5BrF2N2 |
| Molecular Weight | 247.0395 |
| SMILES | FC(C1NC2=C(C=C(C=C2)Br)N=1)F |
| Synonyms | 5-bromo-2-(difluoromethyl)-1H-1,3-benzodiazole,
1256956-70-3,
1H-Benzimidazole, 6-bromo-2-(difluoromethyl)-,
SCHEMBL856487,
SCHEMBL10313788,
DNVWMFVLIONESY-UHFFFAOYSA-N,
ZINC84437513,
AKOS014051401,
NE25285,
6-bromo-2-difluoromethyl-1H-benzimidazol,
6-bromo-2-(difluoromethyl)-1H-benzo[d]imidazole,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.043g/mol |
| Monoisotopic Mass | 245.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number