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1- (2,6-Dichlorophenyl) piperazine

CAT: 0926-NCA38661-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-NCA38661-01Size:250 mg
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CAS Number
63386-61-8
MDL Number
MFCD11872774
Smiles
C1CN (CCN1) C2=C (C=CC=C2Cl) Cl
Molecular Formula
C10H12Cl2N2
Molecular Weight
231.12 g/mol
Controlled
Yes

Chemical Information

1-(2,6-Dichlorophenyl)piperazine
CAS Number63386-61-8
PubChem CID11492345
IUPAC Name1-(2,6-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=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(12)10(8)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChIKey
JIJMTXRHRBBARH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,6-Dichlorophenyl)piperazine
CAS: 63386-61-8
CID: 11492345
Formula: C10H12Cl2N2
MW: 231.12
Interactive 3D Structure
Loading 3D structure...
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