a-Chlorobenzyl 4-Fluorophenyl Ketone - CAS 62148-67-8
Catalog: |
BB069533 |
Product Name: |
a-Chlorobenzyl 4-Fluorophenyl Ketone |
CAS: |
62148-67-8 |
Synonyms: |
2-Chloro-1-(4-fluorophenyl)-2-phenylethanone |
IUPAC Name: | 2-chloro-1-(4-fluorophenyl)-2-phenylethanone |
Description: | a-Chlorobenzyl 4-Fluorophenyl Ketone is derived from Benzyl 4-Fluorophenyl Ketone (B279785), which is used in preparation and evaluation of 2,3-diarylpyrazines and quinoxalines as selective COX-2 inhibitors. |
Molecular Weight: | 248.68 |
Molecular Formula: | C14H10ClFO |
Canonical SMILES: | C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Cl |
InChI: | InChI=1S/C14H10ClFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H |
InChI Key: | MFOUYNSALQZQNM-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colourless to Pale Yellow Oil |
Storage: | 4°C, Inert atmosphere |
References: | Singh, S. et al. Bioorg. Med. Chem., 12, 1881 (2004). |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0404208 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0404208 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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