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827573-97-7 | Benzene, [(4-iodo-3,3-dimethyl-1-butenyl)sulfonyl]-
CAS No: 827573-97-7 Catalog No: AG004Z1O MDL No:
Product Description
Catalog Number:
AG004Z1O
Chemical Name:
Benzene, [(4-iodo-3,3-dimethyl-1-butenyl)sulfonyl]-
CAS Number:
827573-97-7
Molecular Formula:
C12H15IO2S
Molecular Weight:
350.2158
IUPAC Name:
(4-iodo-3,3-dimethylbut-1-enyl)sulfonylbenzene
InChI:
InChI=1S/C12H15IO2S/c1-12(2,10-13)8-9-16(14,15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
YCXLIXIQNOGZCZ-UHFFFAOYSA-N
SMILES:
ICC(C=CS(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.214g/mol
Monoisotopic Mass:
349.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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