| CAS Number | 1097164-22-1 |
| Catalog Number | AG019EMH(AGN-PC-0WQVOG) |
| Chemical Name | 1-(2,5-Dimethoxyphenyl)-2-(4-fluorophenyl)ethanone |
| IUPAC Name | 1-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanone |
| InChI | InChI=1S/C16H15FO3/c1-19-13-7-8-16(20-2)14(10-13)15(18)9-11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3 |
| InChI Key | ACSUBRIBQKXRAL-UHFFFAOYSA-N |
| MDL Number | MFCD13660606 |
| Molecular Formula | C16H15FO3 |
| Molecular Weight | 274.2869 |
| SMILES | COc1ccc(OC)c(c1)C(=O)Cc1ccc(F)cc1 |
| Synonyms | 1-(2,5-DIMETHOXYPHENYL)-2-(4-FLUOROPHENYL)ETHANONE,
1097164-22-1,
SCHEMBL16323195,
CTK7A5633,
ACSUBRIBQKXRAL-UHFFFAOYSA-N,
MFCD13660606,
ZINC37353765,
TZ000713,
CS-0036647,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.291g/mol |
| Monoisotopic Mass | 274.101g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number