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1227270-55-4 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-iodo-1-(phenylsulfonyl)-
CAS No: 1227270-55-4 Catalog No: AG000J68 MDL No:MFCD16875830
Product Description
Catalog Number:
AG000J68
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227270-55-4
Molecular Formula:
C14H8IN3O2S
Molecular Weight:
409.2017
MDL Number:
MFCD16875830
IUPAC Name:
1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C14H8IN3O2S/c15-13-8-12-10(9-16)6-7-17-14(12)18(13)21(19,20)11-4-2-1-3-5-11/h1-8H
InChI Key:
DESXJOPVMAACAL-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.938g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.201g/mol
Monoisotopic Mass:
408.938g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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