| CAS Number | 1403483-76-0 |
| Catalog Number | AG009WY3(AGN-PC-0WAB31) |
| Chemical Name | 5-Bromo-1-tert-butyl-6-fluoro-2-methyl-1,3-benzodiazole |
| IUPAC Name | 5-bromo-1-tert-butyl-6-fluoro-2-methylbenzimidazole |
| InChI | InChI=1S/C12H14BrFN2/c1-7-15-10-5-8(13)9(14)6-11(10)16(7)12(2,3)4/h5-6H,1-4H3 |
| InChI Key | UHWRDBXXHXZZBG-UHFFFAOYSA-N |
| MDL Number | MFCD22549323 |
| Molecular Formula | C12H14BrFN2 |
| Molecular Weight | 285.1554 |
| SMILES | Brc1cc2nc(n(c2cc1F)C(C)(C)C)C |
| Synonyms | 5-BROMO-1-TERT-BUTYL-6-FLUORO-2-METHYL-1,3-BENZODIAZOLE,
1403483-76-0,
KM3910,
ZINC95217981,
V3072,
C12H14BrFN2,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.03244g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.15g/mol |
| Monoisotopic Mass | 284.03244g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number