| CAS Number | 916210-71-4 |
| Catalog Number | AG01A8T4 |
| Chemical Name | 3-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile |
| IUPAC Name | 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile |
| InChI | InChI=1S/C11H9N3O2/c1-11(9(15)13-10(16)14-11)8-4-2-3-7(5-8)6-12/h2-5H,1H3,(H2,13,14,15,16) |
| InChI Key | WUIGRSIAJLDKLZ-UHFFFAOYSA-N |
| MDL Number | MFCD16547555 |
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.2081 |
| SMILES | CC1(C2=CC(C#N)=CC=C2)C(=O)NC(=O)N1 |
| Synonyms | 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile,
916210-71-4,
EN300-62490,
AC1Q2D04,
SCHEMBL10163879,
AKOS011661896,
MCULE-1253609574,
NE15983,
BC4384357,
Z992717332,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.212g/mol |
| Monoisotopic Mass | 215.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number