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1,2-diethoxy-4-fluorobenzene

CAT: 0127-PC1024412-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1024412-01Size:250 mg
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CAS Number
219998-31-9
MDL Number
MFCD34780499
Purity
97%
Smiles
C1 (ccc (c (c1) OCC) OCC) F

Chemical Information

1,2-Diethoxy-4-fluorobenzene
CAS Number219998-31-9
PubChem CID67438372
IUPAC Name1,2-diethoxy-4-fluorobenzene
Molecular FormulaC10H13FO2
Molecular Weight184.21
XLogP2.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
CCOC1=C(C=C(C=C1)F)OCC
InChI
InChI=1S/C10H13FO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4H2,1-2H3
InChIKey
HGPBQVIGTAWGLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Diethoxy-4-fluorobenzene
CAS: 219998-31-9
CID: 67438372
Formula: C10H13FO2
MW: 184.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.21
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass184.08995782
Monoisotopic Mass184.08995782
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
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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