| CAS Number | 120399-00-0 |
| Catalog Number | AG019L9G(AGN-PC-0K2YCT) |
| Chemical Name | 2-(4-nitro-1H-imidazol-1-yl)acetamide |
| IUPAC Name | 2-(4-nitroimidazol-1-yl)acetamide |
| InChI | InChI=1S/C5H6N4O3/c6-4(10)1-8-2-5(7-3-8)9(11)12/h2-3H,1H2,(H2,6,10) |
| InChI Key | WGAIQWLGIACFPR-UHFFFAOYSA-N |
| MDL Number | MFCD00621267 |
| Molecular Formula | C5H6N4O3 |
| Molecular Weight | 170.1261 |
| SMILES | NC(CN1C=C([N+]([O-])=O)N=C1)=O |
| Synonyms | 2-(4-nitro-1H-imidazol-1-yl)acetamide,
120399-00-0,
2-(4-nitroimidazol-1-yl)acetamide,
AC1Q4ZOF,
2-(4-nitroimidazolyl)acetamide,
AC1LP012,
CTK7D3280,
ZINC1094007,
AKOS001453793,
MCULE-2516636382,
NE11621,
ST008462,
EN300-30520,
CID1276710,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.128g/mol |
| Monoisotopic Mass | 170.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number