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1227266-95-6

1227266-95-6 | 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-2-iodo-4-nitro-1-(phenylsulfonyl)-

CAS No: 1227266-95-6 Catalog No: AG000J25 MDL No:

Product Description

Catalog Number:
AG000J25
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-2-iodo-4-nitro-1-(phenylsulfonyl)-
CAS Number:
1227266-95-6
Molecular Formula:
C13H7ClIN3O4S
Molecular Weight:
463.6348
IUPAC Name:
1-(benzenesulfonyl)-6-chloro-2-iodo-4-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H7ClIN3O4S/c14-11-7-10(18(19)20)9-6-12(15)17(13(9)16-11)23(21,22)8-4-2-1-3-5-8/h1-7H
InChI Key:
RRNXTKPNLMIGIL-UHFFFAOYSA-N
SMILES:
Clc1nc2c(c(c1)[N+](=O)[O-])cc(n2S(=O)(=O)c1ccccc1)I

Properties

Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.889g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.63g/mol
Monoisotopic Mass:
462.889g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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