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4- (4-Bromophenyl) piperidin-2-one

CAT: 0804-HY-46459-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-46459-01Size:100 mg
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Description
4- (4-Bromophenyl) piperidin-2-one is a drug intermediate for synthesis of various active compounds.
CAS Number
1893051-68-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.39
Smiles
BrC1=CC=C(C(CCN2)CC2=O)C=C1
Molecular Formula
C11H12BrNO
Molecular Weight
254.13
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-(4-Bromophenyl)piperidin-2-one
CAS Number1893051-68-7
PubChem CID117209353
IUPAC Name4-(4-bromophenyl)piperidin-2-one
Molecular FormulaC11H12BrNO
Molecular Weight254.12
XLogP2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
C1CNC(=O)CC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrNO/c12-10-3-1-8(2-4-10)9-5-6-13-11(14)7-9/h1-4,9H,5-7H2,(H,13,14)
InChIKey
ADZNIFCNDOFVTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromophenyl)piperidin-2-one
CAS: 1893051-68-7
CID: 117209353
Formula: C11H12BrNO
MW: 254.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.12
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass253.01023
Monoisotopic Mass253.01023
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
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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Alternative Products

CatalogName
GTR19268226-014- (4-Bromophenyl) piperidin-2-one
CBA47143-011- (4-Bromophenyl) piperidin-2-one
OR1072209-013- (4-Bromophenyl) piperidin-2-one
SKA88078-016- (4-Bromophenyl) piperidin-2-one
TRC-B698503-100MG1-(4-Bromophenyl)piperidin-2-one
sc-287018A1- (4-Bromophenyl) piperidin-4-one
RQB77011-011-[ (2-Bromophenyl) methyl]piperidin-4-one
407506-011- (2-Bromophenyl) piperidin-2-one
OR321518-013- (2-Bromophenyl) piperidin-2-one
407779-011- (3-Bromophenyl) piperidin-4-one

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