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125430-15-1 | 1,1':4',1''-Terphenyl, 4,4''-bis[(4-chlorophenyl)sulfonyl]-
CAS No: 125430-15-1 Catalog No: AG000NPC MDL No:
Product Description
Catalog Number:
AG000NPC
Chemical Name:
1,1':4',1''-Terphenyl, 4,4''-bis[(4-chlorophenyl)sulfonyl]-
CAS Number:
125430-15-1
Molecular Formula:
C30H20Cl2O4S2
Molecular Weight:
579.5134
IUPAC Name:
1,4-bis[4-(4-chlorophenyl)sulfonylphenyl]benzene
InChI:
InChI=1S/C30H20Cl2O4S2/c31-25-9-17-29(18-10-25)37(33,34)27-13-5-23(6-14-27)21-1-2-22(4-3-21)24-7-15-28(16-8-24)38(35,36)30-19-11-26(32)12-20-30/h1-20H
InChI Key:
YAAZCAOKAIYPLJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
869
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.018g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.506g/mol
Monoisotopic Mass:
578.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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