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1- (3,5-Dichlorophenyl) Piperazine

CAT: 1299-RG-A263293-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A263293-01Size:10 mg
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CAS Number
55827-50-4
Synonyms
1- (3,5-dichlorophenyl) piperazine
Molecular Formula
C10H12Cl2N2
Molecular Weight
231.12
Product Name Synonym
1- (3,5-dichlorophenyl) piperazine

Chemical Information

1-(3,5-Dichlorophenyl)piperazine
CAS Number55827-50-4
PubChem CID2736067
IUPAC Name1-(3,5-dichlorophenyl)piperazine
Molecular FormulaC10H12Cl2N2
Molecular Weight231.12
XLogP2.6
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity173
SMILES
C1CN(CCN1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKey
LISGMSBYRAXPJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,5-Dichlorophenyl)piperazine
CAS: 55827-50-4
CID: 2736067
Formula: C10H12Cl2N2
MW: 231.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.12
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass230.0377538
Monoisotopic Mass230.0377538
Topological Polar Surface Area15.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity173
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

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