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Home > Bromides > 1227270-99-6
1227270-99-6 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-2-iodo-5-methoxy-1-(phenylsulfonyl)-
CAS No: 1227270-99-6 Catalog No: AG000J7O MDL No:
Product Description
Catalog Number:
AG000J7O
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-2-iodo-5-methoxy-1-(phenylsulfonyl)-
CAS Number:
1227270-99-6
Molecular Formula:
C14H10BrIN2O3S
Molecular Weight:
493.1143
IUPAC Name:
1-(benzenesulfonyl)-6-bromo-2-iodo-5-methoxypyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10BrIN2O3S/c1-21-11-7-9-8-12(16)18(14(9)17-13(11)15)22(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
XWIKOHHHPWAOQN-UHFFFAOYSA-N
SMILES:
COc1cc2cc(n(c2nc1Br)S(=O)(=O)c1ccccc1)I
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.864g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.113g/mol
Monoisotopic Mass:
491.864g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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