| CAS Number | 17487-98-8 |
| Catalog Number | AG00200F(AGN-PC-0JOTMJ) |
| Chemical Name | 1H-Imidazole, 5-bromo-4-chloro- |
| IUPAC Name | 4-bromo-5-chloro-1H-imidazole |
| InChI | InChI=1S/C3H2BrClN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7) |
| InChI Key | KRHIYYYHTXGSDW-UHFFFAOYSA-N |
| MDL Number | MFCD24553895 |
| Molecular Formula | C3H2BrClN2 |
| Molecular Weight | 181.4184 |
| NSC Number | 222404 |
| SMILES | BrC1=C(N=CN1)Cl |
| Synonyms | 4-bromo-5-chloro-1H-imidazole,
17487-98-8,
1H-Imidazole,5-bromo-4-chloro-,
NSC222404,
1H-IMIDAZOLE, 5-BROMO-4-CHLORO-,
AC1L7L69,
SCHEMBL1196212,
CTK4D5121,
DTXSID20310092,
ZINC4771900,
AKOS026677505,
AKOS030619317,
NSC-222404,
F2167-3928,
CID312392,
N/A,
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| Complexity | 70 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.417g/mol |
| Monoisotopic Mass | 179.909g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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