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1227269-13-7 | 1H-Pyrrolo[3,2-c]pyridine, 2-iodo-4-methoxy-1-(phenylsulfonyl)-
CAS No: 1227269-13-7 Catalog No: AG000J5B MDL No:
Product Description
Catalog Number:
AG000J5B
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine, 2-iodo-4-methoxy-1-(phenylsulfonyl)-
CAS Number:
1227269-13-7
Molecular Formula:
C14H11IN2O3S
Molecular Weight:
414.2182
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-4-methoxypyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C14H11IN2O3S/c1-20-14-11-9-13(15)17(12(11)7-8-16-14)21(18,19)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
DWUKJWXSNSYXAJ-UHFFFAOYSA-N
SMILES:
COc1nccc2c1cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.954g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.217g/mol
Monoisotopic Mass:
413.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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