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Niraparib Impurity 14

CAT: 1299-RM-N090114-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090114-04Size:100 mg
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CAS Number
1203686-41-2
Synonyms
Tert-butyl 3- (3-bromophenyl) piperidine-1-carboxylate
Molecular Formula
C16H22BrNO2
Molecular Weight
340.26
Target Alternative Name
Niraparib
Product Name Synonym
Tert-butyl 3- (3-bromophenyl) piperidine-1-carboxylate

Chemical Information

Tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate
CAS Number1203686-41-2
PubChem CID77231365
IUPAC Nametert-butyl 3-(3-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=C2)Br
InChI
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-5-7-13(11-18)12-6-4-8-14(17)10-12/h4,6,8,10,13H,5,7,9,11H2,1-3H3
InChIKey
WXELUJTUWXJRDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-(3-bromophenyl)piperidine-1-carboxylate
CAS: 1203686-41-2
CID: 77231365
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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