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1227268-96-3 | 1H-Pyrrolo[2,3-b]pyridine, 2-iodo-6-methyl-5-nitro-1-(phenylsulfonyl)-
CAS No: 1227268-96-3 Catalog No: AG000J4D MDL No:
Product Description
Catalog Number:
AG000J4D
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-iodo-6-methyl-5-nitro-1-(phenylsulfonyl)-
CAS Number:
1227268-96-3
Molecular Formula:
C14H10IN3O4S
Molecular Weight:
443.2164
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-6-methyl-5-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10IN3O4S/c1-9-12(18(19)20)7-10-8-13(15)17(14(10)16-9)23(21,22)11-5-3-2-4-6-11/h2-8H,1H3
InChI Key:
XVKNEJJEEPRYPW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc(n(c2nc1C)S(=O)(=O)c1ccccc1)I
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.944g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.215g/mol
Monoisotopic Mass:
442.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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