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197166-39-5 | Piperazine, 1-(3,4-dichlorophenyl)-4-[(2,5-dichlorophenyl)sulfonyl]-
CAS No: 197166-39-5 Catalog No: AG002AMS MDL No:
Product Description
Catalog Number:
AG002AMS
Chemical Name:
Piperazine, 1-(3,4-dichlorophenyl)-4-[(2,5-dichlorophenyl)sulfonyl]-
CAS Number:
197166-39-5
Molecular Formula:
C16H14Cl4N2O2S
Molecular Weight:
440.1716
IUPAC Name:
1-(3,4-dichlorophenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
InChI:
InChI=1S/C16H14Cl4N2O2S/c17-11-1-3-14(19)16(9-11)25(23,24)22-7-5-21(6-8-22)12-2-4-13(18)15(20)10-12/h1-4,9-10H,5-8H2
InChI Key:
VAQACFCOJXBJFH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Cl)Cl)Cl
NSC Number:
678255
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.95g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.16g/mol
Monoisotopic Mass:
437.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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