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88315-72-4 | Benzene, 1-(1,1-dimethylethyl)-3-(ethylsulfonyl)-
CAS No: 88315-72-4 Catalog No: AG0048OS MDL No:
Product Description
Catalog Number:
AG0048OS
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-3-(ethylsulfonyl)-
CAS Number:
88315-72-4
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
1-tert-butyl-3-ethylsulfonylbenzene
InChI:
InChI=1S/C12H18O2S/c1-5-15(13,14)11-8-6-7-10(9-11)12(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
SYBWSWMQLVSYKT-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cccc(c1)C(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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