| CAS Number | 1021187-74-5 |
| Catalog Number | AG01AF65 |
| Chemical Name | 1-[2-chloro-4-(4-fluorophenoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[2-chloro-4-(4-fluorophenoxy)phenyl]ethanone |
| InChI | InChI=1S/C14H10ClFO2/c1-9(17)13-7-6-12(8-14(13)15)18-11-4-2-10(16)3-5-11/h2-8H,1H3 |
| InChI Key | NRHFUAPESWFWDH-UHFFFAOYSA-N |
| MDL Number | MFCD20557802 |
| Molecular Formula | C14H10ClFO2 |
| Molecular Weight | 264.6794 |
| SMILES | CC(C1=C(Cl)C=C(OC2=CC=C(F)C=C2)C=C1)=O |
| Synonyms | 1-[2-chloro-4-(4-fluorophenoxy)phenyl]ethan-1-one,
1021187-74-5,
ZINC78942417,
AKOS013657846,
NE16654,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.68g/mol |
| Monoisotopic Mass | 264.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number