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Home > Nitro Compounds > 937012-11-8
937012-11-8 | 1H-Pyrrolo[2,3-b]pyridine, 5-nitro-1-(phenylsulfonyl)-
CAS No: 937012-11-8 Catalog No: AG00GTY9 MDL No:MFCD11616443
Product Description
Catalog Number:
AG00GTY9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-nitro-1-(phenylsulfonyl)-
CAS Number:
937012-11-8
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
MDL Number:
MFCD11616443
IUPAC Name:
1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9N3O4S/c17-16(18)11-8-10-6-7-15(13(10)14-9-11)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
WLSHPXXCDBYQNM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)ccn2S(=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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