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4- (3-fluorophenoxy) aniline

CAT: 0024-sc-347855ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-347855ASize:5 g
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CAS Number
307308-62-9

Chemical Information

4-(3-Fluorophenoxy)aniline
CAS Number307308-62-9
PubChem CID15453825
IUPAC Name4-(3-fluorophenoxy)aniline
Molecular FormulaC12H10FNO
Molecular Weight203.21
XLogP3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity192
SMILES
C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)N
InChI
InChI=1S/C12H10FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
InChIKey
OHACTALIXWVZFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Fluorophenoxy)aniline
CAS: 307308-62-9
CID: 15453825
Formula: C12H10FNO
MW: 203.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.21
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass203.074642105
Monoisotopic Mass203.074642105
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity192
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