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1013-27-0 | Piperazine, 1-(2,5-dichlorophenyl)-
CAS No: 1013-27-0 Catalog No: AG000460 MDL No:MFCD02258886
Product Description
Catalog Number:
AG000460
Chemical Name:
Piperazine, 1-(2,5-dichlorophenyl)-
CAS Number:
1013-27-0
Molecular Formula:
C10H12Cl2N2
Molecular Weight:
231.1217
MDL Number:
MFCD02258886
IUPAC Name:
1-(2,5-dichlorophenyl)piperazine
InChI:
InChI=1S/C10H12Cl2N2/c11-8-1-2-9(12)10(7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChI Key:
JHICIIDUQBMMRM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1N1CCNCC1)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.12g/mol
Monoisotopic Mass:
230.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor. | Journal of medicinal chemistry 20040408 |
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