1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid - CAS 179064-49-4
Catalog: |
BB013540 |
Product Name: |
1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid |
CAS: |
179064-49-4 |
Synonyms: |
1-(2-fluorophenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
Description: | 1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid (CAS# 179064-49-4 ) is a useful research chemical. |
Molecular Weight: | 236.24 |
Molecular Formula: | C13H13FO3 |
Canonical SMILES: | C1CC(CCC1=O)(C2=CC=CC=C2F)C(=O)O |
InChI: | InChI=1S/C13H13FO3/c14-11-4-2-1-3-10(11)13(12(16)17)7-5-9(15)6-8-13/h1-4H,5-8H2,(H,16,17) |
InChI Key: | ZSHLDJCZQFHYBA-UHFFFAOYSA-N |
LogP: | 2.29120 |
Publication Number | Title | Priority Date |
AU-2001256509-B2 | Cyclohexane derivatives and their use as therapeutic agents | 20000519 |
DE-60123420-T2 | Cyclohexyl derivatives and their use as therapeutic agents | 20000519 |
EP-1286967-A1 | Cyclohexane derivatives and their use as therapeutic agents | 20000519 |
EP-1286967-B1 | Cyclohexane derivatives and their use as therapeutic agents | 20000519 |
ES-2273837-T3 | DERIVATIVES OF CICLOHEXANO AND ITS USE AS THERAPEUTIC AGENTS. | 20000519 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.08487243 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.08487243 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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