| CAS Number | 52578-11-7 |
| Catalog Number | AG00I9EP(AGN-PC-0JRG18) |
| Chemical Name | Ethanone, 2-(4-chlorophenyl)-1-(4-methoxyphenyl)- |
| IUPAC Name | 2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone |
| InChI | InChI=1S/C15H13ClO2/c1-18-14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3 |
| InChI Key | GSYCXDGNSNVUTA-UHFFFAOYSA-N |
| MDL Number | MFCD09744106 |
| Molecular Formula | C15H13ClO2 |
| Molecular Weight | 260.7155 |
| SMILES | COC1=CC=C(C(CC2=CC=C(Cl)C=C2)=O)C=C1 |
| Synonyms | 2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone,
52578-11-7,
4-chlorobenzyl 4-methoxyphenyl ketone,
Ethanone, 2-(4-chlorophenyl)-1-(4-methoxyphenyl)-,
AC1L9W91,
SCHEMBL3099974,
CTK1G2435,
DTXSID00332454,
GSYCXDGNSNVUTA-UHFFFAOYSA-N,
ZINC6484209,
KM5576,
MFCD09744106,
AKOS009338357,
1-(4-Methoxyphenyl)-2-(4-chlorophenyl)ethanone,
I14-6610,
2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1-ethanone,
AIDS010135,
CID457242,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.717g/mol |
| Monoisotopic Mass | 260.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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