Home Halogens 3-bromopiperidin-2-one

3-bromopiperidin-2-one

CAS No.:
34433-86-8
Catalog Number:
AG00C6MN
Molecular Formula:
C5H8BrNO
Molecular Weight:
178.0271
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Product Description
Catalog Number:
AG00C6MN
Chemical Name:
3-bromopiperidin-2-one
CAS Number:
34433-86-8
Molecular Formula:
C5H8BrNO
Molecular Weight:
178.0271
MDL Number:
MFCD09834399
IUPAC Name:
3-bromopiperidin-2-one
InChI:
InChI=1S/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)
InChI Key:
CJFHQJDFNSXAOC-UHFFFAOYSA-N
SMILES:
O=C1NCCCC1Br
EC Number:
252-023-2
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.029g/mol
Monoisotopic Mass:
176.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties