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115091-01-5 | 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
CAS No: 115091-01-5 Catalog No: AG000FVA MDL No:
Product Description
Catalog Number:
AG000FVA
Chemical Name:
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
CAS Number:
115091-01-5
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
1-(4-chlorophenyl)-3-piperazin-1-ylpropan-1-one
InChI:
InChI=1S/C13H17ClN2O/c14-12-3-1-11(2-4-12)13(17)5-8-16-9-6-15-7-10-16/h1-4,15H,5-10H2
InChI Key:
KMWWJKAQUKOBAS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CCN1CCNCC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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