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83176-47-0 | 4,4'-propane-2,2-diyldiphenol- 1,1'-sulfonylbis(4-chlorobenzene)(1:1)
CAS No: 83176-47-0 Catalog No: AG004VOS MDL No:
Product Description
Catalog Number:
AG004VOS
Chemical Name:
4,4'-propane-2,2-diyldiphenol- 1,1'-sulfonylbis(4-chlorobenzene)(1:1)
CAS Number:
83176-47-0
Molecular Formula:
C27H24Cl2O4S
Molecular Weight:
515.4481
IUPAC Name:
1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI:
InChI=1S/C15H16O2.C12H8Cl2O2S/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h3-10,16-17H,1-2H3;1-8H
InChI Key:
IQNPTYXQCJVNHR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C.Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.077g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
515.445g/mol
Monoisotopic Mass:
514.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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