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1- (4-fluorophenoxy) -3-nitrobenzene

CAT: 0127-PC1024656-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1024656-01Size:250 mg
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CAS Number
263349-49-1
Purity
97%
Smiles
C1c (ccc (c1) Oc1cccc (c1) [N+] (=O) [O-]) F

Chemical Information

1-(4-Fluorophenoxy)-3-nitrobenzene
CAS Number263349-49-1
PubChem CID23506030
IUPAC Name1-(4-fluorophenoxy)-3-nitrobenzene
Molecular FormulaC12H8FNO3
Molecular Weight233.19
XLogP3.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity261
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C12H8FNO3/c13-9-4-6-11(7-5-9)17-12-3-1-2-10(8-12)14(15)16/h1-8H
InChIKey
KTAZFKZIBVXWQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenoxy)-3-nitrobenzene
CAS: 263349-49-1
CID: 23506030
Formula: C12H8FNO3
MW: 233.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.19
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass233.04882128
Monoisotopic Mass233.04882128
Topological Polar Surface Area55.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity261
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