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1227268-92-9 | 1H-Pyrrolo[2,3-b]pyridine, 2-iodo-4-nitro-1-(phenylsulfonyl)-
CAS No: 1227268-92-9 Catalog No: AG000J4G MDL No:
Product Description
Catalog Number:
AG000J4G
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-iodo-4-nitro-1-(phenylsulfonyl)-
CAS Number:
1227268-92-9
Molecular Formula:
C13H8IN3O4S
Molecular Weight:
429.1898
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-4-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8IN3O4S/c14-12-8-10-11(17(18)19)6-7-15-13(10)16(12)22(20,21)9-4-2-1-3-5-9/h1-8H
InChI Key:
UOXXXCNGJVEJHK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.928g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.188g/mol
Monoisotopic Mass:
428.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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