Home Halogens 1-benzyl-3-bromopiperidin-2-one

1-benzyl-3-bromopiperidin-2-one

CAS No.:
77868-86-1
Catalog Number:
AG00GCR7
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
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Product Description
Catalog Number:
AG00GCR7
Chemical Name:
1-benzyl-3-bromopiperidin-2-one
CAS Number:
77868-86-1
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
MDL Number:
MFCD19678915
IUPAC Name:
1-benzyl-3-bromopiperidin-2-one
InChI:
InChI=1S/C12H14BrNO/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChI Key:
OASXCKSPMWTYKM-UHFFFAOYSA-N
SMILES:
BrC1CCCN(C1=O)Cc1ccccc1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties