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88389-79-1 | Phenol, 4-[[4-[4-[4-(1,1-dimethylethyl)phenoxy]butoxy]phenyl]sulfonyl]-
CAS No: 88389-79-1 Catalog No: AG004FDX MDL No:
Product Description
Catalog Number:
AG004FDX
Chemical Name:
Phenol, 4-[[4-[4-[4-(1,1-dimethylethyl)phenoxy]butoxy]phenyl]sulfonyl]-
CAS Number:
88389-79-1
Molecular Formula:
C26H30O5S
Molecular Weight:
454.5784
IUPAC Name:
4-[4-[4-(4-tert-butylphenoxy)butoxy]phenyl]sulfonylphenol
InChI:
InChI=1S/C26H30O5S/c1-26(2,3)20-6-10-22(11-7-20)30-18-4-5-19-31-23-12-16-25(17-13-23)32(28,29)24-14-8-21(27)9-15-24/h6-17,27H,4-5,18-19H2,1-3H3
InChI Key:
WAWWNWPVQGGKLU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCCCCOc1ccc(cc1)C(C)(C)C
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.181g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.581g/mol
Monoisotopic Mass:
454.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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