| CAS Number | 1197478-23-1 |
| Catalog Number | AG019WU4 |
| Chemical Name | 5-methyl-1-(2-nitrophenyl)-2,3-dihydro-1H-imidazol-2-one |
| IUPAC Name | 4-methyl-3-(2-nitrophenyl)-1H-imidazol-2-one |
| InChI | InChI=1S/C10H9N3O3/c1-7-6-11-10(14)12(7)8-4-2-3-5-9(8)13(15)16/h2-6H,1H3,(H,11,14) |
| InChI Key | LLQAIWMRSMWDRS-UHFFFAOYSA-N |
| MDL Number | MFCD12913211 |
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.1968 |
| SMILES | CC1N(C2=C([N+]([O-])=O)C=CC=C2)C(=O)NC=1 |
| Synonyms | 5-methyl-1-(2-nitrophenyl)-2,3-dihydro-1H-imidazol-2-one,
1197478-23-1,
AC1Q2OJO,
CTK5I3934,
ZINC38342141,
AKOS034591984,
MCULE-5073205735,
NE15659,
EN300-53152,
Z803145342,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.2g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number