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1246088-65-2 | 2,3-Diiodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 1246088-65-2 Catalog No: AG00HHQ8 MDL No:MFCD17171337
Product Description
Catalog Number:
AG00HHQ8
Chemical Name:
2,3-Diiodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
1246088-65-2
Molecular Formula:
C14H10I2N2O2S
Molecular Weight:
524.1153
MDL Number:
MFCD17171337
IUPAC Name:
1-(benzenesulfonyl)-2,3-diiodo-5-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10I2N2O2S/c1-9-7-11-12(15)13(16)18(14(11)17-8-9)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
FKLZTMYXHYDXTK-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(I)c(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.855g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.115g/mol
Monoisotopic Mass:
523.855g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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