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Home > Pyridines > 1227268-64-5
1227268-64-5 | 1H-Pyrrolo[2,3-b]pyridine, 6-methoxy-1-(phenylsulfonyl)-
CAS No: 1227268-64-5 Catalog No: AG000J3S MDL No:
Product Description
Catalog Number:
AG000J3S
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-methoxy-1-(phenylsulfonyl)-
CAS Number:
1227268-64-5
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
1-(benzenesulfonyl)-6-methoxypyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O3S/c1-19-13-8-7-11-9-10-16(14(11)15-13)20(17,18)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
XMPKCWMQFYHZLB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)n(cc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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