| CAS Number | 120118-03-8 |
| Catalog Number | AG000QC9(AGN-PC-0WD35R) |
| Chemical Name | 1H-Imidazole-2-carbonitrile, 5-bromo- |
| IUPAC Name | 5-bromo-1H-imidazole-2-carbonitrile |
| InChI | InChI=1S/C4H2BrN3/c5-3-2-7-4(1-6)8-3/h2H,(H,7,8) |
| InChI Key | DXZFZIQXGDJVCL-UHFFFAOYSA-N |
| MDL Number | MFCD27922670 |
| Molecular Formula | C4H2BrN3 |
| Molecular Weight | 171.9828 |
| SMILES | N#CC1=NC=C(Br)N1 |
| Synonyms | 5-Bromo-1H-imidazole-2-carbonitrile,
120118-03-8,
1H-Imidazole-2-carbonitrile, 5-bromo-,
SCHEMBL9958531,
DTXSID40560557,
DXZFZIQXGDJVCL-UHFFFAOYSA-N,
4-bromo-1H-imidazole-2-carbonitrile,
ZINC95830121,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.985g/mol |
| Monoisotopic Mass | 170.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number