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154913-23-2 | 4-Piperidinone, 1-(4-bromophenyl)-
CAS No: 154913-23-2 Catalog No: AG001NGQ MDL No:MFCD09930458
Product Description
Catalog Number:
AG001NGQ
Chemical Name:
4-Piperidinone, 1-(4-bromophenyl)-
CAS Number:
154913-23-2
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD09930458
IUPAC Name:
1-(4-bromophenyl)piperidin-4-one
InChI:
InChI=1S/C11H12BrNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChI Key:
FBZGTFCMSGXCRE-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1ccc(cc1)Br
Properties
Complexity:
201
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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