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Niraparib Impurity 16

CAT: 1299-RM-N090116-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090116-01Size:10 mg
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CAS Number
1203682-58-9
Synonyms
3- (3-bromophenyl) piperidine
Molecular Formula
C11H14BrN
Molecular Weight
240.14
Target Alternative Name
Niraparib
Product Name Synonym
3- (3-bromophenyl) piperidine

Chemical Information

3-(3-Bromophenyl)piperidine
CAS Number1203682-58-9
PubChem CID71683844
IUPAC Name3-(3-bromophenyl)piperidine
Molecular FormulaC11H14BrN
Molecular Weight240.14
XLogP2.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
C1CC(CNC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H14BrN/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1,3,5,7,10,13H,2,4,6,8H2
InChIKey
RUWGKFBBZYOBCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Bromophenyl)piperidine
CAS: 1203682-58-9
CID: 71683844
Formula: C11H14BrN
MW: 240.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.14
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass239.03096
Monoisotopic Mass239.03096
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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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