| CAS Number | 1256958-64-1 |
| Catalog Number | AG01EA8F |
| Chemical Name | 5-bromo-6-fluoro-2-methyl-1H-1,3-benzodiazole |
| IUPAC Name | 5-bromo-6-fluoro-2-methyl-1H-benzimidazole |
| InChI | InChI=1S/C8H6BrFN2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12) |
| InChI Key | LQUQFKLVEZSIDG-UHFFFAOYSA-N |
| MDL Number | MFCD23327437 |
| Molecular Formula | C8H6BrFN2 |
| Molecular Weight | 229.0490 |
| SMILES | BrC1=CC2=C(NC(=N2)C)C=C1F |
| Synonyms | 5-bromo-6-fluoro-2-methyl-1H-1,3-benzodiazole,
1256958-64-1,
SCHEMBL855939,
ZINC86598668,
AKOS018187725,
Z2165751063,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.052g/mol |
| Monoisotopic Mass | 227.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number