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Diethyl 2,3-difluorosuccinate

CAT: 0127-PC1008375-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC1008375-01Size:1 g
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CAS Number
868-24-6
Purity
=95%
Smiles
CCOC(=O)C(F)C(F)C(=O)OCC

Chemical Information

Diethyl 2,3-difluorosuccinate
CAS Number868-24-6
PubChem CID12868425
IUPAC Namediethyl 2,3-difluorobutanedioate
Molecular FormulaC8H12F2O4
Molecular Weight210.17
XLogP1.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
CCOC(=O)C(C(C(=O)OCC)F)F
InChI
InChI=1S/C8H12F2O4/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKey
ZUCCDLPTVDWFAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2,3-difluorosuccinate
CAS: 868-24-6
CID: 12868425
Formula: C8H12F2O4
MW: 210.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.17
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass210.07036518
Monoisotopic Mass210.07036518
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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