| CAS Number | 1094763-06-0 |
| Catalog Number | AG01AALN |
| Chemical Name | 1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethan-1-one |
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone |
| InChI | InChI=1S/C11H8ClFN2O/c12-7-1-2-8(9(13)5-7)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15) |
| InChI Key | RITCAVWUWNDCGV-UHFFFAOYSA-N |
| MDL Number | MFCD11211885 |
| Molecular Formula | C11H8ClFN2O |
| Molecular Weight | 238.6454 |
| SMILES | FC1=C(C(CC2NC=CN=2)=O)C=CC(Cl)=C1 |
| Synonyms | 1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethan-1-one,
1094763-06-0,
AC1Q4KZY,
ZINC36946633,
AKOS009341813,
MCULE-5618641152,
NE39757,
EN300-68950,
Z652702102,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.646g/mol |
| Monoisotopic Mass | 238.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number