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1- (3-Bromophenyl) Piperazine

CAT: 1299-RG-B181577-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-B181577-01Size:10 mg
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CAS Number
31197-30-5
Synonyms
1- (3-bromophenyl) piperazine
Molecular Formula
C10H13BrN2
Molecular Weight
241.13
Target Alternative Name
Trazodone
Product Name Synonym
1- (3-bromophenyl) piperazine

Chemical Information

1-(3-Bromophenyl)piperazine
CAS Number31197-30-5
PubChem CID2757154
IUPAC Name1-(3-bromophenyl)piperazine
Molecular FormulaC10H13BrN2
Molecular Weight241.13
XLogP1.8
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
C1CN(CCN1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey
DOYNABJKDZARLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromophenyl)piperazine
CAS: 31197-30-5
CID: 2757154
Formula: C10H13BrN2
MW: 241.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.13
XLogP31.8
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
Complexity157
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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