2-(4-Fluorobenzoyl)benzoic acid - CAS 7649-92-5
Catalog: |
BB035589 |
Product Name: |
2-(4-Fluorobenzoyl)benzoic acid |
CAS: |
7649-92-5 |
Synonyms: |
2-(4-fluorobenzoyl)benzoic acid |
IUPAC Name: | 2-(4-fluorobenzoyl)benzoic acid |
Description: | 2-(4-Fluorobenzoyl)benzoic acid has been used in studies in metallo-β-lactamase (MBL) inhibitors as a fragment that would inhibit the clinically relevant MBL Verona integron-encoded metallo-β-lactamase (VIM-2). |
Molecular Weight: | 244.22 |
Molecular Formula: | C14H9FO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18) |
InChI Key: | FJAZVXUPZQSZKI-UHFFFAOYSA-N |
Boiling Point: | 443.1 °C at 760 mmHg |
Melting Point: | 138-140 °C (lit.) |
Purity: | 95 % |
Density: | 1.325 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00002473 |
LogP: | 2.75490 |
Publication Number | Title | Priority Date |
CN-113149824-A | Method for synthesizing pitavastatin calcium intermediate by using microchannel reactor | 20210315 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
RU-2621343-C1 | 2-[4'-(2",6"-dimethylphenoxy)benzoyl]benzoic acid and the method of preparation of the invention | 20160711 |
RU-2625157-C1 | Pseudochloroanhydride 2-[4'-(2",6"-dimethylphenoxy)benzoyl]benzoic acid and the method of its production | 20160711 |
RU-2625158-C1 | Thermal-resistant polyarylenhflalide and method of its production | 20160711 |
PMID | Publication Date | Title | Journal |
21919700 | 20121001 | Studies on synthetic and structural characterization of new fluorine substituted phthalides of pharmaceutical interest | Journal of enzyme inhibition and medicinal chemistry |
19385228 | 20090101 | [Study on synthesis, structure characterization and fluorescence of europium complexes of 2-(4-fluorobenzoyl) benzoic acid] | Guang pu xue yu guang pu fen xi = Guang pu |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.05357231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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