Home Halogens 1-Benzyl-3-bromopiperidin-4-one hydrobromide

1-Benzyl-3-bromopiperidin-4-one hydrobromide

CAS No.:
83877-88-7
Catalog Number:
AG004RUD
Molecular Formula:
C12H15Br2NO
Molecular Weight:
349.0616
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Product Description
Catalog Number:
AG004RUD
Chemical Name:
1-Benzyl-3-bromopiperidin-4-one hydrobromide
CAS Number:
83877-88-7
Molecular Formula:
C12H15Br2NO
Molecular Weight:
349.0616
MDL Number:
MFCD16040214
IUPAC Name:
1-benzyl-3-bromopiperidin-4-one;hydrobromide
InChI:
InChI=1S/C12H14BrNO.BrH/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H
InChI Key:
WAXUDOAUXCKKAK-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1Br)Cc1ccccc1.Br
EC Number:
281-157-4
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.95g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.066g/mol
Monoisotopic Mass:
346.952g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties