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114316-60-8 | Benzene, 1-(2-methoxyethoxy)-4-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS No: 114316-60-8 Catalog No: AG000B31 MDL No:
Product Description
Catalog Number:
AG000B31
Chemical Name:
Benzene, 1-(2-methoxyethoxy)-4-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
114316-60-8
Molecular Formula:
C17H20O4S
Molecular Weight:
320.4033
IUPAC Name:
1-(2-methoxyethoxy)-4-methyl-2-(4-methylphenyl)sulfonylbenzene
InChI:
InChI=1S/C17H20O4S/c1-13-4-7-15(8-5-13)22(18,19)17-12-14(2)6-9-16(17)21-11-10-20-3/h4-9,12H,10-11H2,1-3H3
InChI Key:
FOZXSBUILBZXTF-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.403g/mol
Monoisotopic Mass:
320.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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