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1227266-86-5 | 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS No: 1227266-86-5 Catalog No: AG000J2E MDL No:
Product Description
Catalog Number:
AG000J2E
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS Number:
1227266-86-5
Molecular Formula:
C14H10ClIN2O2S
Molecular Weight:
432.6639
IUPAC Name:
1-(benzenesulfonyl)-4-chloro-2-iodo-6-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10ClIN2O2S/c1-9-7-12(15)11-8-13(16)18(14(11)17-9)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
NESIIDSAGVHIFD-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c2c(n1)n(c(c2)I)S(=O)(=O)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.92g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.66g/mol
Monoisotopic Mass:
431.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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