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3- (4-fluorophenyl) glutaric acid

CAT: 0931-Fr212987-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr212987-01Size:200 mg
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CAS Number
3449-63-6
Bioactivity
3- (4-fluorophenyl) glutaric acid, with CAS No. 3449-63-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3- (4-fluorophenyl) glutaric 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.
Smiles
OC(=O)CC(CC(O)=O)c1ccc(F)cc1
Molecular Formula
C11H11FO4
Molecular Weight
226.203
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Fluorophenyl)pentanedioic acid
CAS Number3449-63-6
PubChem CID76990
IUPAC Name3-(4-fluorophenyl)pentanedioic acid
Molecular FormulaC11H11FO4
Molecular Weight226.20
XLogP1.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity243
SMILES
C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)F
InChI
InChI=1S/C11H11FO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChIKey
CNZZQTFKXGQNLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenyl)pentanedioic acid
CAS: 3449-63-6
CID: 76990
Formula: C11H11FO4
MW: 226.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.20
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass226.06413699
Monoisotopic Mass226.06413699
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
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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GTR19259115-013- (4-fluorophenyl) glutaric acid
TRC-C378250-1G3-(4-Chlorophenyl)glutaric Acid
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