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(4-Fluorophenoxy)acetaldehyde Diethyl Acetal

CAT: 0572-TRC-F595315-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F595315-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59769-37-8
Hazard Statement
No Data Available
Smiles
CCOC(COc1ccc(F)cc1)OCC
Molecular Formula
C12 H17 F O3
Molecular Weight
228.26
InChI
InChI=1S/C12H17FO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3
Additionnal Information
IUPAC name: 1-(2,2-diethoxyethoxy)-4-fluorobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2,2-Diethoxyethoxy)-4-fluorobenzene
CAS Number59769-37-8
PubChem CID11447518
IUPAC Name1-(2,2-diethoxyethoxy)-4-fluorobenzene
Molecular FormulaC12H17FO3
Molecular Weight228.26
XLogP2.6
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity164
SMILES
CCOC(COC1=CC=C(C=C1)F)OCC
InChI
InChI=1S/C12H17FO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKey
HISQDLGUCGVTTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,2-Diethoxyethoxy)-4-fluorobenzene
CAS: 59769-37-8
CID: 11447518
Formula: C12H17FO3
MW: 228.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.26
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass228.11617256
Monoisotopic Mass228.11617256
Topological Polar Surface Area27.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity164
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
161389(4-Fluorophenoxy) acetaldehyde Diethyl Acetal
AR-A01131-01Acetal (Acetaldehyde Diethyl Acetal)
A00330Acetaldehyde diethyl acetal
462481-01(Phenylthio) acetaldehyde Diethyl Acetal
440781-01Acetaldehyde Diethyl Acetal-d4
sc-234754(Dimethylamino) acetaldehyde diethyl acetal
sc-301535Phenoxy-acetaldehyde diethyl acetal
OR7899-01(Benzylamino) acetaldehyde diethyl acetal
MBS6064755-012-(2-Ethoxyphenoxy)acetaldehyde Diethyl Acetal
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