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2-FLUORO-PHENOXY) -PROPIONIC ACID

CAT: 0013-GTR19259114-02Size: 10 mgDry Ice: NoHazardous: No
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Description
2-FLUORO-PHENOXY) -PROPIONIC ACID, with CAS No. 17088-71-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2-FLUORO-PHENOXY) -PROPIONIC ACID provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
17088-71-0
Solubility
DMSO:36.83 mg/mL (199.98 mM)
Smiles
CC (OC1=CC=CC=C1F) C (O) =O
Molecular Formula
C9H9FO3
Molecular Weight
184.166
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-Fluorophenoxy)propanoic acid
CAS Number17088-71-0
PubChem CID6485771
IUPAC Name2-(2-fluorophenoxy)propanoic acid
Molecular FormulaC9H9FO3
Molecular Weight184.16
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CC(C(=O)O)OC1=CC=CC=C1F
InChI
InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
InChIKey
MMWXPDDADHYFFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenoxy)propanoic acid
CAS: 17088-71-0
CID: 6485771
Formula: C9H9FO3
MW: 184.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.16
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass184.05357231
Monoisotopic Mass184.05357231
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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