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14761-39-8 | Ethanone, 2-chloro-1-(4-phenyl-1-piperazinyl)-
CAS No: 14761-39-8 Catalog No: AG001F1J MDL No:MFCD00495576
Product Description
Catalog Number:
AG001F1J
Chemical Name:
Ethanone, 2-chloro-1-(4-phenyl-1-piperazinyl)-
CAS Number:
14761-39-8
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD00495576
IUPAC Name:
2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C12H15ClN2O/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
VHIWWIFXKVGUMK-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCN(CC1)c1ccccc1
NSC Number:
614568
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 1-Chloro-2-(4-phenyl-piperazin-1-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20090601 |
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