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1- (3-ethoxy-4-fluorophenyl) ethanol

CAT: 0127-PC1011239Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1443334-87-9
MDL Number
MFCD22370227
Purity
95%
Smiles
C1 (ccc (c (c1) OCC) F) C (C) O

Chemical Information

1-(3-Ethoxy-4-fluorophenyl)ethanol
CAS Number1443334-87-9
PubChem CID91656676
IUPAC Name1-(3-ethoxy-4-fluorophenyl)ethanol
Molecular FormulaC10H13FO2
Molecular Weight184.21
XLogP1.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity152
SMILES
CCOC1=C(C=CC(=C1)C(C)O)F
InChI
InChI=1S/C10H13FO2/c1-3-13-10-6-8(7(2)12)4-5-9(10)11/h4-7,12H,3H2,1-2H3
InChIKey
LEDABZZVTDIXLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Ethoxy-4-fluorophenyl)ethanol
CAS: 1443334-87-9
CID: 91656676
Formula: C10H13FO2
MW: 184.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.21
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass184.08995782
Monoisotopic Mass184.08995782
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity152
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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Alternative Products

CatalogName
408153-011- (4-Fluorophenyl) ethanol
413408-012- (3-Chloro-4-fluorophenyl) ethanol
408152-01(-) -1- (4-Fluorophenyl) ethanol
sc-334420(1S) -1- (3-bromo-4-fluorophenyl) ethanol
sc-345364(1R) -1- (3-bromo-4-fluorophenyl) ethanol
463643-01(R) ​-​1-​ (3-​Fluorophenyl) ​ethanol
sc-334427(1S) -1- (3-fluorophenyl) ethanol
sc-258129(S) -1- (3-Fluorophenyl) ethanol
sc-258075(R) -1- (3-Fluorophenyl) ethanol
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