| CAS Number | 127727-75-7 |
| Catalog Number | AG01A3JB |
| Chemical Name | 2-(4-chlorophenyl)-1-(4-ethoxyphenyl)ethan-1-one |
| IUPAC Name | 2-(4-chlorophenyl)-1-(4-ethoxyphenyl)ethanone |
| InChI | InChI=1S/C16H15ClO2/c1-2-19-15-9-5-13(6-10-15)16(18)11-12-3-7-14(17)8-4-12/h3-10H,2,11H2,1H3 |
| InChI Key | GHBKJYWFUXFNSZ-UHFFFAOYSA-N |
| MDL Number | MFCD12653596 |
| Molecular Formula | C16H15ClO2 |
| Molecular Weight | 274.7421 |
| SMILES | CCOC1=CC=C(C(CC2=CC=C(Cl)C=C2)=O)C=C1 |
| Synonyms | 2-(4-chlorophenyl)-1-(4-ethoxyphenyl)ethan-1-one,
127727-75-7,
ZINC36941877,
AKOS009339956,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.744g/mol |
| Monoisotopic Mass | 274.076g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number