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4-Fluorobenzoic acid

CAT: 0804-HY-W013677-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W013677-01Size:250 g
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Description
4-Fluorobenzoic acid is a drug intermediate that can be used to synthesize a series of hydrazone derivatives with antituberculosis activity and Schiff bases with DPPH radical scavenging activity[1][2].
CAS Number
456-22-4
UNSPSC
12352200
Hazard Statement
H315, H319
Target
Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/4-fluorobenzoic-acid.html
Purity
99.22
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(C=C1)F)O
Molecular Formula
C7H5FO2
Molecular Weight
140.11
Precautions
H315, H319
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

4-Fluorobenzoic Acid

4-fluorobenzoic acid is a fluorobenzoic acid carrying a fluoro substituent at position 4. It has a role as a bacterial xenobiotic metabolite. It is a conjugate acid of a 4-fluorobenzoate.

CAS Number456-22-4
PubChem CID9973
IUPAC Name4-fluorobenzoic acid
Molecular FormulaC7H5FO2
Molecular Weight140.11
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity128
SMILES
C1=CC(=CC=C1C(=O)O)F
InChI
InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
BBYDXOIZLAWGSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluorobenzoic Acid
CAS: 456-22-4
CID: 9973
Formula: C7H5FO2
MW: 140.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.11
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.02735756
Monoisotopic Mass140.02735756
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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