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1227268-57-6 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-chloro-2-iodo-1-(phenylsulfonyl)-
CAS No: 1227268-57-6 Catalog No: AG000J3Y MDL No:
Product Description
Catalog Number:
AG000J3Y
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-chloro-2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227268-57-6
Molecular Formula:
C14H7ClIN3O2S
Molecular Weight:
443.6467
IUPAC Name:
1-(benzenesulfonyl)-4-chloro-2-iodopyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C14H7ClIN3O2S/c15-12-6-9(8-17)18-14-11(12)7-13(16)19(14)22(20,21)10-4-2-1-3-5-10/h1-7H
InChI Key:
XMEMQCIQYZEOAO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c2c(n1)n(c(c2)I)S(=O)(=O)c1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.899g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.643g/mol
Monoisotopic Mass:
442.899g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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