| CAS Number | 99513-17-4 |
| Catalog Number | AG00IKAT(AGN-PC-0WOL9Y) |
| Chemical Name | 5-Bromo-1,2-dimethyl-1H-benzimidazole |
| IUPAC Name | 5-bromo-1,2-dimethylbenzimidazole |
| InChI | InChI=1S/C9H9BrN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,1-2H3 |
| InChI Key | KXQPLXMYJLKDMW-UHFFFAOYSA-N |
| MDL Number | MFCD16250432 |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.0852 |
| SMILES | CC2=NC1=CC(Br)=CC=C1N2C |
| Synonyms | 99513-17-4,
5-bromo-1,2-dimethyl-1H-benzo[d]imidazole,
5-BROMO-1,2-DIMETHYL-1,3-BENZODIAZOLE,
5-bromo-1,2-dimethyl-1H-1,3-benzodiazole,
1H-Benzimidazole, 5-bromo-1,2-dimethyl-,
SCHEMBL958660,
KXQPLXMYJLKDMW-UHFFFAOYSA-N,
MFCD16250432,
ZINC82600224,
AKOS022799259,
5-bromo-1,2-dimethyl-1H-benzimidazole,
AS-35874,
Z2719319145,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.089g/mol |
| Monoisotopic Mass | 223.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number