| CAS Number | 1378947-22-8 |
| Catalog Number | AG00141F(AGN-PC-0WR284) |
| Chemical Name | 1H-Benzimidazole, 6-bromo-2-chloro-1-methyl- |
| IUPAC Name | 6-bromo-2-chloro-1-methylbenzimidazole |
| InChI | InChI=1S/C8H6BrClN2/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3 |
| InChI Key | CJPTUTCWKUFTHH-UHFFFAOYSA-N |
| MDL Number | MFCD18073561 |
| Molecular Formula | C8H6BrClN2 |
| Molecular Weight | 245.5036 |
| SMILES | BrC=1C=CC2=C(N(C(=N2)Cl)C)C1 |
| Synonyms | 6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole,
1378947-22-8,
6-Bromo-2-chloro-1-methyl-1H-benzimidazole,
SCHEMBL17674019,
ZX-AT002023,
MFCD18073561,
ZINC80441587,
FCH1363046,
OR52118,
PS-11599,
1H-Benzimidazole, 6-bromo-2-chloro-1-methyl-,
6-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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number