| CAS Number | 1864014-40-3 |
| Catalog Number | AG00I1RO(AGN-PC-0WQZSY) |
| Chemical Name | 4-Bromo-5-chloro-1-methylimidazole |
| IUPAC Name | 4-bromo-5-chloro-1-methylimidazole |
| InChI | InChI=1S/C4H4BrClN2/c1-8-2-7-3(5)4(8)6/h2H,1H3 |
| InChI Key | XRMNUPRKHYNSFV-UHFFFAOYSA-N |
| MDL Number | MFCD29035392 |
| Molecular Formula | C4H4BrClN2 |
| Molecular Weight | 195.4450 |
| SMILES | CN1C(Cl)=C(Br)N=C1 |
| Synonyms | 4-BROMO-5-CHLORO-1-METHYLIMIDAZOLE,
1864014-40-3,
4-Bromo-5-chloro-1-methyl-1H-imidazole,
SCHEMBL19059638,
ZINC252508719,
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| Complexity | 90.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.444g/mol |
| Monoisotopic Mass | 193.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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