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3- (3-Nitrophenoxy) piperidine

CAT: 0024-sc-311846Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-311846Size:500 mg
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CAS Number
946759-44-0

Chemical Information

3-(3-Nitrophenoxy)piperidine
CAS Number946759-44-0
PubChem CID24902329
IUPAC Name3-(3-nitrophenoxy)piperidine
Molecular FormulaC11H14N2O3
Molecular Weight222.24
XLogP1.8
Topological Polar Surface Area67.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
C1CC(CNC1)OC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c14-13(15)9-3-1-4-10(7-9)16-11-5-2-6-12-8-11/h1,3-4,7,11-12H,2,5-6,8H2
InChIKey
KEZVNFHKMNOBOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Nitrophenoxy)piperidine
CAS: 946759-44-0
CID: 24902329
Formula: C11H14N2O3
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass222.10044231
Monoisotopic Mass222.10044231
Topological Polar Surface Area67.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
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