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Niraparib Impurity 15

CAT: 1299-RM-N090115-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090115-03Size:50 mg
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CAS Number
1203683-54-8
Synonyms
1,1-Dimethylethyl 3- (2-bromophenyl) -1-piperidinecarboxylate
Molecular Formula
C16H22BrNO2
Molecular Weight
340.26
Target Alternative Name
Niraparib
Product Name Synonym
1,1-Dimethylethyl 3- (2-bromophenyl) -1-piperidinecarboxylate

Chemical Information

Tert-butyl 3-(2-bromophenyl)piperidine-1-carboxylate
CAS Number1203683-54-8
PubChem CID133553128
IUPAC Nametert-butyl 3-(2-bromophenyl)piperidine-1-carboxylate
Molecular FormulaC16H22BrNO2
Molecular Weight340.25
XLogP4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity340
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=CC=C2Br
InChI
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-6-7-12(11-18)13-8-4-5-9-14(13)17/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKey
ITRBRONTRUBWCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-(2-bromophenyl)piperidine-1-carboxylate
CAS: 1203683-54-8
CID: 133553128
Formula: C16H22BrNO2
MW: 340.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.25
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass339.08339
Monoisotopic Mass339.08339
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity340
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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