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Ethyl 9-fluorodecanoate

CAT: 0804-HY-W1027410Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W1027410Size:1 Each
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Description
Ethyl 9-fluorodecanoate is a fluorinated building block useful in chemical synthesis[1].
CAS Number
63977-32-2
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCCCCCCC(C)F)OCC
Molecular Formula
C12H23FO2
Molecular Weight
218.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Yerlikaya S, et al. Investigation of chemical profile, biological properties of Lotus corniculatus L. extracts and their apoptotic-autophagic effects on breast cancer cells. J Pharm Biomed Anal. 2019 Sep 10;174:286-299.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ethyl 9-fluorodecanoate
CAS Number63977-32-2
PubChem CID45771
IUPAC Nameethyl 9-fluorodecanoate
Molecular FormulaC12H23FO2
Molecular Weight218.31
XLogP3.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity160
SMILES
CCOC(=O)CCCCCCCC(C)F
InChI
InChI=1S/C12H23FO2/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h11H,3-10H2,1-2H3
InChIKey
JAZAPWBESSCPQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 9-fluorodecanoate
CAS: 63977-32-2
CID: 45771
Formula: C12H23FO2
MW: 218.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.31
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass218.16820813
Monoisotopic Mass218.16820813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity160
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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