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87964-65-6 | Dibenzofuran, 2,8-bis[(phenylmethyl)sulfonyl]-
CAS No: 87964-65-6 Catalog No: AG004FZH MDL No:
Product Description
Catalog Number:
AG004FZH
Chemical Name:
Dibenzofuran, 2,8-bis[(phenylmethyl)sulfonyl]-
CAS Number:
87964-65-6
Molecular Formula:
C26H20O5S2
Molecular Weight:
476.5640
IUPAC Name:
2,8-bis(benzylsulfonyl)dibenzofuran
InChI:
InChI=1S/C26H20O5S2/c27-32(28,17-19-7-3-1-4-8-19)21-11-13-25-23(15-21)24-16-22(12-14-26(24)31-25)33(29,30)18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChI Key:
RNXJOGJMEOEKKN-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)c1cc(ccc1o2)S(=O)(=O)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.075g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.561g/mol
Monoisotopic Mass:
476.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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