1-(2-(3,4-Dichlorophenoxy)-5-fluorophenyl)ethanone - CAS 289717-97-1
Catalog: |
BB055758 |
Product Name: |
1-(2-(3,4-Dichlorophenoxy)-5-fluorophenyl)ethanone |
CAS: |
289717-97-1 |
Synonyms: |
2-(3,4-Dichlorophenoxy)-5-fluoroacetophenone |
IUPAC Name: | 1-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]ethanone |
Description: | 1-(2-(3,4-Dichlorophenoxy)-5-fluorophenyl)ethanone in an intermediate in the preparation of 1-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)ethanamine as monoamine reuptake inhibitors. |
Molecular Weight: | 299.12 |
Molecular Formula: | C14H9Cl2FO2 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)F)OC2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C14H9Cl2FO2/c1-8(18)11-6-9(17)2-5-14(11)19-10-3-4-12(15)13(16)7-10/h2-7H,1H3 |
InChI Key: | HPIKXCXBZZKEED-UHFFFAOYSA-N |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.9963631 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.9963631 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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