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1417793-93-1 | Ethanone, 1-[4-(2-chloroacetyl)-1-piperazinyl]-2-(3-thienyl)-
CAS No: 1417793-93-1 Catalog No: AG001H4K MDL No:
Product Description
Catalog Number:
AG001H4K
Chemical Name:
Ethanone, 1-[4-(2-chloroacetyl)-1-piperazinyl]-2-(3-thienyl)-
CAS Number:
1417793-93-1
Molecular Formula:
C12H15ClN2O2S
Molecular Weight:
286.7777
IUPAC Name:
1-[4-(2-chloroacetyl)piperazin-1-yl]-2-thiophen-3-ylethanone
InChI:
InChI=1S/C12H15ClN2O2S/c13-8-12(17)15-4-2-14(3-5-15)11(16)7-10-1-6-18-9-10/h1,6,9H,2-5,7-8H2
InChI Key:
LMFKHGFDCHWXJS-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCN(CC1)C(=O)Cc1cscc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.774g/mol
Monoisotopic Mass:
286.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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