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4- (3-Bromophenoxy) piperidine, HCl

CAT: 0127-OR1032555-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1032555-01Size:100 mg
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CAS Number
1072944-50-3
Purity
98%
Smiles
C1=CC(=CC(=C1)OC2CCNCC2)Br.Cl

Chemical Information

4-(3-Bromophenoxy)piperidine hydrochloride
CAS Number1072944-50-3
PubChem CID45075444
IUPAC Name4-(3-bromophenoxy)piperidine;hydrochloride
Molecular FormulaC11H15BrClNO
Molecular Weight292.60
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity171
SMILES
C1CNCCC1OC2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKey
HYIUFMKPWZFLKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Bromophenoxy)piperidine hydrochloride
CAS: 1072944-50-3
CID: 45075444
Formula: C11H15BrClNO
MW: 292.60
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight292.60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass291.00255
Monoisotopic Mass291.00255
Topological Polar Surface Area21.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity171
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