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177325-63-2 | Phenol, 2,4-bis[(4-methylphenyl)sulfonyl]-
CAS No: 177325-63-2 Catalog No: AG00258J MDL No:
Product Description
Catalog Number:
AG00258J
Chemical Name:
Phenol, 2,4-bis[(4-methylphenyl)sulfonyl]-
CAS Number:
177325-63-2
Molecular Formula:
C20H18O5S2
Molecular Weight:
402.4839
IUPAC Name:
2,4-bis-(4-methylphenyl)sulfonylphenol
InChI:
InChI=1S/C20H18O5S2/c1-14-3-7-16(8-4-14)26(22,23)18-11-12-19(21)20(13-18)27(24,25)17-9-5-15(2)6-10-17/h3-13,21H,1-2H3
InChI Key:
PXVQSTJVKUKAPM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)c1ccc(cc1)C)O
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.06g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.479g/mol
Monoisotopic Mass:
402.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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