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823180-15-0 | 1H-Pyrrole, 2-(2,2-diiodoethenyl)-1-(phenylsulfonyl)-
CAS No: 823180-15-0 Catalog No: AG005FVQ MDL No:
Product Description
Catalog Number:
AG005FVQ
Chemical Name:
1H-Pyrrole, 2-(2,2-diiodoethenyl)-1-(phenylsulfonyl)-
CAS Number:
823180-15-0
Molecular Formula:
C12H9I2NO2S
Molecular Weight:
485.0793
IUPAC Name:
1-(benzenesulfonyl)-2-(2,2-diiodoethenyl)pyrrole
InChI:
InChI=1S/C12H9I2NO2S/c13-12(14)9-10-5-4-8-15(10)18(16,17)11-6-2-1-3-7-11/h1-9H
InChI Key:
LZWMOXLESOVDMW-UHFFFAOYSA-N
SMILES:
IC(=Cc1cccn1S(=O)(=O)c1ccccc1)I
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.844g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.078g/mol
Monoisotopic Mass:
484.844g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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