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1227266-88-7 | 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-1-(phenylsulfonyl)-
CAS No: 1227266-88-7 Catalog No: AG000J2C MDL No:
Product Description
Catalog Number:
AG000J2C
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-1-(phenylsulfonyl)-
CAS Number:
1227266-88-7
Molecular Formula:
C13H8ClN3O4S
Molecular Weight:
337.7383
IUPAC Name:
1-(benzenesulfonyl)-6-chloro-4-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8ClN3O4S/c14-12-8-11(17(18)19)10-6-7-16(13(10)15-12)22(20,21)9-4-2-1-3-5-9/h1-8H
InChI Key:
IUUOWBWOXCGPER-UHFFFAOYSA-N
SMILES:
Clc1nc2c(c(c1)[N+](=O)[O-])ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.992g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.734g/mol
Monoisotopic Mass:
336.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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