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Home > Bromides > 1016769-81-5
1016769-81-5 | 4-Piperidinone, 1-(3-bromophenyl)-
CAS No: 1016769-81-5 Catalog No: AG00055W MDL No:MFCD09933024
Product Description
Catalog Number:
AG00055W
Chemical Name:
4-Piperidinone, 1-(3-bromophenyl)-
CAS Number:
1016769-81-5
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD09933024
IUPAC Name:
1-(3-bromophenyl)piperidin-4-one
InChI:
InChI=1S/C11H12BrNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2
InChI Key:
QRHASCGAIQGKHB-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1cccc(c1)Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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