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13170-83-7 | Piperazine, 1,4-bis[(4-chlorophenyl)sulfonyl]-
CAS No: 13170-83-7 Catalog No: AG000ZMD MDL No:
Product Description
Catalog Number:
AG000ZMD
Chemical Name:
Piperazine, 1,4-bis[(4-chlorophenyl)sulfonyl]-
CAS Number:
13170-83-7
Molecular Formula:
C16H16Cl2N2O4S2
Molecular Weight:
435.3452
IUPAC Name:
1,4-bis[(4-chlorophenyl)sulfonyl]piperazine
InChI:
InChI=1S/C16H16Cl2N2O4S2/c17-13-1-5-15(6-2-13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChI Key:
BZWBPYBIYIFVTB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.993g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.334g/mol
Monoisotopic Mass:
433.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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