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13737-19-4 | Benzene, 1-methoxy-4-[[(4-methoxyphenyl)sulfinyl]sulfonyl]- (9CI)
CAS No: 13737-19-4 Catalog No: AG00136X MDL No:
Product Description
Catalog Number:
AG00136X
Chemical Name:
Benzene, 1-methoxy-4-[[(4-methoxyphenyl)sulfinyl]sulfonyl]- (9CI)
CAS Number:
13737-19-4
Molecular Formula:
C14H14O5S2
Molecular Weight:
326.3880
IUPAC Name:
1-methoxy-4-(4-methoxyphenyl)sulfonylsulfinylbenzene
InChI:
InChI=1S/C14H14O5S2/c1-18-11-3-7-13(8-4-11)20(15)21(16,17)14-9-5-12(19-2)6-10-14/h3-10H,1-2H3
InChI Key:
XXLPZNCHBXXTOT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)S(=O)(=O)c1ccc(cc1)OC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.381g/mol
Monoisotopic Mass:
326.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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