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1227267-08-4 | 1H-Pyrrolo[2,3-b]pyridine, 4,6-dichloro-1-(phenylsulfonyl)-
CAS No: 1227267-08-4 Catalog No: AG000J1X MDL No:
Product Description
Catalog Number:
AG000J1X
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4,6-dichloro-1-(phenylsulfonyl)-
CAS Number:
1227267-08-4
Molecular Formula:
C13H8Cl2N2O2S
Molecular Weight:
327.1858
IUPAC Name:
1-(benzenesulfonyl)-4,6-dichloropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8Cl2N2O2S/c14-11-8-12(15)16-13-10(11)6-7-17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChI Key:
AYYBAEZQXCQONH-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(n1)n(cc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.968g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.179g/mol
Monoisotopic Mass:
325.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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