| CAS Number | 923191-32-6 |
| Catalog Number | AG019K92 |
| Chemical Name | 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile |
| IUPAC Name | 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile |
| InChI | InChI=1S/C11H9N3O2/c12-5-8-3-1-2-4-9(8)7-14-10(15)6-13-11(14)16/h1-4H,6-7H2,(H,13,16) |
| InChI Key | CSMCQQCRZAHGAJ-UHFFFAOYSA-N |
| MDL Number | MFCD08691174 |
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.2081 |
| SMILES | O=C1N(CC2=C(C#N)C=CC=C2)C(=O)NC1 |
| Synonyms | 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile,
923191-32-6,
EN300-26001,
AC1Q6ETO,
CTK7C8704,
ZINC9256657,
AKOS000198296,
MCULE-6201366420,
NE23758,
BC4111818,
Z18357714,
2-[(2,5-DIOXO-1-IMIDAZOLIDINYL)METHYL]BENZONITRILE,
|
| Complexity | 358 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.212g/mol |
| Monoisotopic Mass | 215.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number