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88408-77-9 | Benzene, [[4-(1-butoxyethoxy)-2-methylbutyl]sulfonyl]-
CAS No: 88408-77-9 Catalog No: AG004HZR MDL No:
Product Description
Catalog Number:
AG004HZR
Chemical Name:
Benzene, [[4-(1-butoxyethoxy)-2-methylbutyl]sulfonyl]-
CAS Number:
88408-77-9
Molecular Formula:
C17H28O4S
Molecular Weight:
328.4668
IUPAC Name:
[4-(1-butoxyethoxy)-2-methylbutyl]sulfonylbenzene
InChI:
InChI=1S/C17H28O4S/c1-4-5-12-20-16(3)21-13-11-15(2)14-22(18,19)17-9-7-6-8-10-17/h6-10,15-16H,4-5,11-14H2,1-3H3
InChI Key:
KZLCLUIUWAVDLN-UHFFFAOYSA-N
SMILES:
CCCCOC(OCCC(CS(=O)(=O)c1ccccc1)C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.171g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.467g/mol
Monoisotopic Mass:
328.171g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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