| CAS Number | 1240610-45-0 |
| Catalog Number | AG000LI4(AGN-PC-0C7DAE) |
| Chemical Name | 4-Bromo-2-Chloro-1-Methyl-1H-Benzo[D]Imidazole |
| IUPAC Name | 4-bromo-2-chloro-1-methylbenzimidazole |
| InChI | InChI=1S/C8H6BrClN2/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3 |
| InChI Key | RAIXLQWLPQPVME-UHFFFAOYSA-N |
| MDL Number | MFCD17168994 |
| Molecular Formula | C8H6BrClN2 |
| Molecular Weight | 245.5036 |
| SMILES | BrC1=CC=CC=2N(C(=NC21)Cl)C |
| Synonyms | 1240610-45-0,
4-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole,
4-Bromo-2-chloro-1-methyl-1H-benzimidazole,
SCHEMBL7876217,
ZX-AT000766,
MFCD17168994,
ZINC80441580,
FCH1357298,
OR52093,
4-bromo-2-chloro-1-methylbenzimidazole,
1H-Benzimidazole, 4-bromo-2-chloro-1-methyl-,
4-bromo-2-chloro-1-methyl-1H-benzo[d]imidazole, 95% - 1G 1g,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.504g/mol |
| Monoisotopic Mass | 243.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number