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3- (2-Bromophenyl) piperazin-2-one

CAT: 0926-WZB54854-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB54854-01Size:50 mg
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CAS Number
1246548-54-8
MDL Number
MFCD07373588
Smiles
C1CNC (=O) C (N1) C2=CC=CC=C2Br
Molecular Formula
C10H11BrN2O
Molecular Weight
255.11 g/mol
Controlled
No

Chemical Information

3-(2-Bromophenyl)piperazin-2-one
CAS Number1246548-54-8
PubChem CID62352289
IUPAC Name3-(2-bromophenyl)piperazin-2-one
Molecular FormulaC10H11BrN2O
Molecular Weight255.11
XLogP1.3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1CNC(=O)C(N1)C2=CC=CC=C2Br
InChI
InChI=1S/C10H11BrN2O/c11-8-4-2-1-3-7(8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
MUQXZTVVAQKOSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Bromophenyl)piperazin-2-one
CAS: 1246548-54-8
CID: 62352289
Formula: C10H11BrN2O
MW: 255.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.11
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass254.00548
Monoisotopic Mass254.00548
Topological Polar Surface Area41.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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