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Home > Nitro Compounds > 1227270-72-5
1227270-72-5 | 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-1-(phenylsulfonyl)-
CAS No: 1227270-72-5 Catalog No: AG000J79 MDL No:
Product Description
Catalog Number:
AG000J79
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-nitro-1-(phenylsulfonyl)-
CAS Number:
1227270-72-5
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
IUPAC Name:
1-(benzenesulfonyl)-4-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9N3O4S/c17-16(18)12-6-8-14-13-11(12)7-9-15(13)21(19,20)10-4-2-1-3-5-10/h1-9H
InChI Key:
ITDHIOPIUNVEAA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.292g/mol
Monoisotopic Mass:
303.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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