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115012-58-3 | 4-Piperidinone, 1-(3-chlorophenyl)-
CAS No: 115012-58-3 Catalog No: AG000FND MDL No:MFCD05864573
Product Description
Catalog Number:
AG000FND
Chemical Name:
4-Piperidinone, 1-(3-chlorophenyl)-
CAS Number:
115012-58-3
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
MDL Number:
MFCD05864573
IUPAC Name:
1-(3-chlorophenyl)piperidin-4-one
InChI:
InChI=1S/C11H12ClNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2
InChI Key:
JJYTZAMHBNGTOX-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1cccc(c1)Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.673g/mol
Monoisotopic Mass:
209.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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