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2- (5-Ethoxy-2-fluorophenyl) -1,3-dioxolane

CAT: 0127-PC1026010-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1026010-01Size:250 mg
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CAS Number
2807447-80-7
MDL Number
MFCD34762071
Purity
95%
Smiles
C1 (ccc (c (c1) C1OCCO1) F) OCC

Chemical Information

2-(5-Ethoxy-2-fluorophenyl)-1,3-dioxolane
CAS Number2807447-80-7
PubChem CID164894744
IUPAC Name2-(5-ethoxy-2-fluorophenyl)-1,3-dioxolane
Molecular FormulaC11H13FO3
Molecular Weight212.22
XLogP1.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity194
SMILES
CCOC1=CC(=C(C=C1)F)C2OCCO2
InChI
InChI=1S/C11H13FO3/c1-2-13-8-3-4-10(12)9(7-8)11-14-5-6-15-11/h3-4,7,11H,2,5-6H2,1H3
InChIKey
JWQBVHJVUQEWAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Ethoxy-2-fluorophenyl)-1,3-dioxolane
CAS: 2807447-80-7
CID: 164894744
Formula: C11H13FO3
MW: 212.22
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight212.22
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass212.08487243
Monoisotopic Mass212.08487243
Topological Polar Surface Area27.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity194
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