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849035-96-7 | 1-Iodo-3,5-bis(methylsulfonyl);benzene
CAS No: 849035-96-7 Catalog No: AG004VMG MDL No:MFCD04037973
Product Description
Catalog Number:
AG004VMG
Chemical Name:
1-Iodo-3,5-bis(methylsulfonyl);benzene
CAS Number:
849035-96-7
Molecular Formula:
C8H9IO4S2
Molecular Weight:
360.1891
MDL Number:
MFCD04037973
IUPAC Name:
1-iodo-3,5-bis(methylsulfonyl)benzene
InChI:
InChI=1S/C8H9IO4S2/c1-14(10,11)7-3-6(9)4-8(5-7)15(2,12)13/h3-5H,1-2H3
InChI Key:
UYRUGPWPAUYCBL-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1)S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.899g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.18g/mol
Monoisotopic Mass:
359.899g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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