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Diethyl-4-fluoroheptanedioate

CAT: 0127-PC49686Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC49686Size:1 Each
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CAS Number
951624-81-0
MDL Number
MFCD08704574
Purity
=95%
Smiles
CCOC(=O)CCC(F)CCC(=O)OCC

Chemical Information

Diethyl 4-fluoroheptanedioate
CAS Number951624-81-0
PubChem CID28306167
IUPAC Namediethyl 4-fluoroheptanedioate
Molecular FormulaC11H19FO4
Molecular Weight234.26
XLogP1.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity196
SMILES
CCOC(=O)CCC(CCC(=O)OCC)F
InChI
InChI=1S/C11H19FO4/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKey
PWWKGLGZUBWLQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 4-fluoroheptanedioate
CAS: 951624-81-0
CID: 28306167
Formula: C11H19FO4
MW: 234.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.26
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass234.12673725
Monoisotopic Mass234.12673725
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity196
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
sc-326802Diethyl 4-fluoroheptanedioate
FD62601-01Diethyl 4,4'-Biphenyldicarboxylate
sc-326803Diethyl 4,4-difluoroheptanedioate
D21107Diethyl-4,4-azoxydibenzoate
sc-460909Diethyl 4,4'-Azodibenzoate
D3551Diethyl 4-Ethoxyphenylethylmalonate
272151-01Diethyl 4-ethoxyphenylmalonate
446803-01Diethyl 4-Aminobenzylphosphonate
sc-337665Diethyl 4-acetylphenylphosphonate
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