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823180-34-3 | 1H-Pyrrole, 2-(2,2-diiodoethyl)-1-(phenylsulfonyl)-
CAS No: 823180-34-3 Catalog No: AG00552Q MDL No:
Product Description
Catalog Number:
AG00552Q
Chemical Name:
1H-Pyrrole, 2-(2,2-diiodoethyl)-1-(phenylsulfonyl)-
CAS Number:
823180-34-3
Molecular Formula:
C12H11I2NO2S
Molecular Weight:
487.0952
IUPAC Name:
1-(benzenesulfonyl)-2-(2,2-diiodoethyl)pyrrole
InChI:
InChI=1S/C12H11I2NO2S/c13-12(14)9-10-5-4-8-15(10)18(16,17)11-6-2-1-3-7-11/h1-8,12H,9H2
InChI Key:
XXCHHHOGTWGCPJ-UHFFFAOYSA-N
SMILES:
IC(Cc1cccn1S(=O)(=O)c1ccccc1)I
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.86g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.094g/mol
Monoisotopic Mass:
486.86g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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