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4-Ethoxy-2-fluoropheno

CAT: 0127-PC1009247-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1009247-02Size:500 mg
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CAS Number
1196486-63-1
MDL Number
MFCD24729381
Purity
95%
Smiles
C1 (c (ccc (c1) OCC) O) F

Chemical Information

4-Ethoxy-2-fluorophenol
CAS Number1196486-63-1
PubChem CID18003371
IUPAC Name4-ethoxy-2-fluorophenol
Molecular FormulaC8H9FO2
Molecular Weight156.15
XLogP2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CCOC1=CC(=C(C=C1)O)F
InChI
InChI=1S/C8H9FO2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
InChIKey
UPELHKMQMUKRQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethoxy-2-fluorophenol
CAS: 1196486-63-1
CID: 18003371
Formula: C8H9FO2
MW: 156.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass156.05865769
Monoisotopic Mass156.05865769
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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