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116763-20-3 | Benzene, 1,1'-sulfonylbis[4-(1-methylethoxy)-
CAS No: 116763-20-3 Catalog No: AG000D7K MDL No:
Product Description
Catalog Number:
AG000D7K
Chemical Name:
Benzene, 1,1'-sulfonylbis[4-(1-methylethoxy)-
CAS Number:
116763-20-3
Molecular Formula:
C18H22O4S
Molecular Weight:
334.4299
IUPAC Name:
1-propan-2-yloxy-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
InChI:
InChI=1S/C18H22O4S/c1-13(2)21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14(3)4/h5-14H,1-4H3
InChI Key:
JKOAVPNNQSSVIQ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(C)C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.43g/mol
Monoisotopic Mass:
334.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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