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5-(2-Fluorophenyl)-5-oxovaleric Acid

CAT: 0572-TRC-F489595-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F489595-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
199664-70-5
Synonyms
2-Fluoro-delta-oxobenzenepentanoic Acid
Hazard Statement
Toxic to aquatic life with long lasting effects; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)CCCC(=O)c1ccccc1F
Molecular Formula
C11H11FO3
Molecular Weight
210.2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-(2-Fluorophenyl)-5-oxopentanoic acid
CAS Number199664-70-5
PubChem CID24726957
IUPAC Name5-(2-fluorophenyl)-5-oxopentanoic acid
Molecular FormulaC11H11FO3
Molecular Weight210.20
XLogP1.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity240
SMILES
C1=CC=C(C(=C1)C(=O)CCCC(=O)O)F
InChI
InChI=1S/C11H11FO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)
InChIKey
JLWPLUVEHPUZJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Fluorophenyl)-5-oxopentanoic acid
CAS: 199664-70-5
CID: 24726957
Formula: C11H11FO3
MW: 210.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass210.06922237
Monoisotopic Mass210.06922237
Topological Polar Surface Area54.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity240
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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Alternative Products

CatalogName
434312-015- (2-Fluorophenyl) -5-oxovaleric Acid
sc-3366655- (3-Fluorophenyl) -5-oxovaleric acid
sc-3233305- (3-Chloro-5-fluorophenyl) -5-oxovaleric acid
sc-3233285- (3-Chloro-4-fluorophenyl) -5-oxovaleric acid
sc-3367035- (4-Fluorophenyl) -3-methyl-5-oxovaleric acid
sc-3233455- (4-Chloro-3-fluorophenyl) -5-oxovaleric acid
sc-3366485- (2-Methylphenyl) -5-oxovaleric acid
PC52835- (3-Chloro-5-fluorophenyl) -3-methyl-5-oxovaleric acid
sc-336718A5- (5-Bromo-2-thienyl) -5-oxovaleric acid
PC52845- (4-Chloro-3-fluorophenyl) -3-methyl-5-oxovaleric acid

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