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4-Fluoro-3-phenoxybenzoic acid

CAT: 1459-CS-O-03375Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Fluoro-3-phenoxybenzoic acid is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-O-03375. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
77279-89-1
Synonyms
4-Fluoro-3-phenoxybenzoic acid
Additionnal Information
4-Fluoro-3-phenoxybenzoic acid is supplied with detailed characterization data compliant with regulatory guideline. 4-Fluoro-3-phenoxybenzoic acid can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

4-Fluoro-3-phenoxybenzoic acid

4-Fluoro-3-phenoxybenzoic acid is an aromatic ether.

CAS Number77279-89-1
PubChem CID157032
IUPAC Name4-fluoro-3-phenoxybenzoic acid
Molecular FormulaC13H9FO3
Molecular Weight232.21
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
C1=CC=C(C=C1)OC2=C(C=CC(=C2)C(=O)O)F
InChI
InChI=1S/C13H9FO3/c14-11-7-6-9(13(15)16)8-12(11)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey
VLXNXMTVRWIUJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-3-phenoxybenzoic acid
CAS: 77279-89-1
CID: 157032
Formula: C13H9FO3
MW: 232.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.21
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass232.05357231
Monoisotopic Mass232.05357231
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
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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