| CAS Number | 1094382-05-4 |
| Catalog Number | AG019V67 |
| Chemical Name | 1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one |
| IUPAC Name | 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanone |
| InChI | InChI=1S/C13H14N2O2/c1-10(16)11-3-5-12(6-4-11)17-9-13-14-7-8-15(13)2/h3-8H,9H2,1-2H3 |
| InChI Key | WHBBMCFOFMDJBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11182282 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | CC(C1=CC=C(OCC2N(C)C=CN=2)C=C1)=O |
| Synonyms | 1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one,
1094382-05-4,
AC1Q3YYZ,
CTK5J9658,
ZINC31977984,
AKOS008122398,
MCULE-4005419030,
NE29998,
EN300-43866,
1-(4-[(1-methyl-1h-imidazol-2-yl)methoxy]phenyl)ethan-1-one,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number