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4- (3,4-dichlorophenoxy) piperidine hydrochloride

CAT: 0127-OR12799-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR12799-01Size:100 mg
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CAS Number
817186-93-9
MDL Number
MFCD03840126
Purity
98%
Smiles
Cl.Clc1ccc(OC2CCNCC2)cc1Cl

Chemical Information

4-(3,4-Dichlorophenoxy)Piperidine Hydrochloride
CAS Number817186-93-9
PubChem CID17749792
IUPAC Name4-(3,4-dichlorophenoxy)piperidine;hydrochloride
Molecular FormulaC11H14Cl3NO
Molecular Weight282.6
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity197
SMILES
C1CNCCC1OC2=CC(=C(C=C2)Cl)Cl.Cl
InChI
InChI=1S/C11H13Cl2NO.ClH/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKey
SEBWUBGSEJJPSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,4-Dichlorophenoxy)Piperidine Hydrochloride
CAS: 817186-93-9
CID: 17749792
Formula: C11H14Cl3NO
MW: 282.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass281.014097
Monoisotopic Mass281.014097
Topological Polar Surface Area21.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes