| CAS Number | 1360963-03-6 |
| Catalog Number | AG01BFG1 |
| Chemical Name | 7-Bromo-6-methyl-1H-benzo[d]imidazole |
| IUPAC Name | 4-bromo-5-methyl-1H-benzimidazole |
| InChI | InChI=1S/C8H7BrN2/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3,(H,10,11) |
| InChI Key | ILQTVYOOUXZJHF-UHFFFAOYSA-N |
| MDL Number | MFCD22558018 |
| Molecular Formula | C8H7BrN2 |
| Molecular Weight | 211.0586 |
| SMILES | CC1=CC=C2N=CNC2=C1Br |
| Synonyms | 4-bromo-5-methyl-1H-1,3-benzodiazole,
1360963-03-6,
4-Bromo-5-methylbenzimidazole,
SCHEMBL18663705,
ZINC98209810,
NE54761,
4-Bromo-5-methyl-1H-benzo[d]imidazole,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.062g/mol |
| Monoisotopic Mass | 209.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number