| CAS Number | 143426-57-7 |
| Catalog Number | AG01B23D(AGN-PC-0ALSLZ) |
| Chemical Name | 2-[4-(1H-Imidazol-1-yl)phenyl]acetonitrile |
| IUPAC Name | 2-(4-imidazol-1-ylphenyl)acetonitrile |
| InChI | InChI=1S/C11H9N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h1-4,7-9H,5H2 |
| InChI Key | AOZFOGBVCGZTHH-UHFFFAOYSA-N |
| MDL Number | MFCD09923875 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | N#CCC1=CC=C(N2C=NC=C2)C=C1 |
| Synonyms | 2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile,
143426-57-7,
Benzeneacetonitrile, 4-(1H-imidazol-1-yl)-,
ZINC44368963,
AKOS006310926,
Z2521982179,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number