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88408-79-1 | Benzene, [[2-methyl-4-(phenylmethoxy)butyl]sulfonyl]-
CAS No: 88408-79-1 Catalog No: AG004KZ5 MDL No:
Product Description
Catalog Number:
AG004KZ5
Chemical Name:
Benzene, [[2-methyl-4-(phenylmethoxy)butyl]sulfonyl]-
CAS Number:
88408-79-1
Molecular Formula:
C18H22O3S
Molecular Weight:
318.4305
IUPAC Name:
[4-(benzenesulfonyl)-3-methylbutoxy]methylbenzene
InChI:
InChI=1S/C18H22O3S/c1-16(12-13-21-14-17-8-4-2-5-9-17)15-22(19,20)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChI Key:
VAVPQRQOJYHZDG-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)c1ccccc1)CCOCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.431g/mol
Monoisotopic Mass:
318.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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