3-Fluorophenylacetic acid - CAS 331-25-9
Catalog: |
BB021568 |
Product Name: |
3-Fluorophenylacetic acid |
CAS: |
331-25-9 |
Synonyms: |
2-(3-fluorophenyl)acetic acid |
IUPAC Name: | 2-(3-fluorophenyl)acetic acid |
Description: | 3-Fluorophenylacetic Acid functions as plant growth regulators, also used in the structure-activity study of antiulcerous and antiinflammatory drugs by discriminant analysis. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)CC(=O)O |
InChI: | InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | YEAUYVGUXSZCFI-UHFFFAOYSA-N |
Boiling Point: | 151 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.272 g/cm3 |
Appearance: | White to pale yellow or light beige crystalline |
MDL: | MFCD00004331 |
LogP: | 1.45280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113200934-A | Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof | 20210518 |
WO-2021170886-A2 | Electronic device | 20200806 |
CN-111440077-A | Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye | 20200515 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
PMID | Publication Date | Title | Journal |
21581247 | 20081108 | 3-(3-Fluoro-benz-yl)-1H-isochromen-1-one | Acta crystallographica. Section E, Structure reports online |
17548091 | 20070713 | Chromatographic selectivity study of 4-fluorophenylacetic acid positional isomers separation | Journal of chromatography. A |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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