| CAS Number | 1243204-92-3 |
| Catalog Number | AG00J09M(AGN-PC-0WB2R8) |
| Chemical Name | 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzonitrile |
| IUPAC Name | 3-methoxy-4-(4-methylimidazol-1-yl)benzonitrile |
| InChI | InChI=1S/C12H11N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,1-2H3 |
| InChI Key | PHDBCCIZTKTFGY-UHFFFAOYSA-N |
| MDL Number | MFCD18907001 |
| Molecular Formula | C12H11N3O |
| Molecular Weight | 213.2352 |
| SMILES | N#CC1=CC=C(N2C=C(C)N=C2)C(OC)=C1 |
| Synonyms | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzonitrile,
1243204-92-3,
SCHEMBL757546,
KS-00002BDC,
MFCD18907001,
ZINC96179496,
AKOS022193601,
SS-4784,
AK471010,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.24g/mol |
| Monoisotopic Mass | 213.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number