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1- (4-Bromophenyl) piperazine

CAT: 0926-FB12514-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FB12514-01Size:10 g
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CAS Number
66698-28-0
MDL Number
MFCD00130198
Smiles
C1CN (CCN1) C2=CC=C (C=C2) Br
Molecular Formula
C10H13BrN2
Molecular Weight
241.13 g/mol
Controlled
Yes

Chemical Information

1-(4-Bromophenyl)piperazine
CAS Number66698-28-0
PubChem CID2735629
IUPAC Name1-(4-bromophenyl)piperazine
Molecular FormulaC10H13BrN2
Molecular Weight241.13
XLogP1.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
C1CN(CCN1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
PJHPFAFEJNBIDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromophenyl)piperazine
CAS: 66698-28-0
CID: 2735629
Formula: C10H13BrN2
MW: 241.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight241.13
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass240.02621
Monoisotopic Mass240.02621
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
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