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Home > Nitro Compounds > 1227270-74-7
1227270-74-7 | 1H-Pyrrolo[2,3-b]pyridine, 6-methyl-5-nitro-1-(phenylsulfonyl)-
CAS No: 1227270-74-7 Catalog No: AG000J77 MDL No:
Product Description
Catalog Number:
AG000J77
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-methyl-5-nitro-1-(phenylsulfonyl)-
CAS Number:
1227270-74-7
Molecular Formula:
C14H11N3O4S
Molecular Weight:
317.3198
IUPAC Name:
1-(benzenesulfonyl)-6-methyl-5-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11N3O4S/c1-10-13(17(18)19)9-11-7-8-16(14(11)15-10)22(20,21)12-5-3-2-4-6-12/h2-9H,1H3
InChI Key:
FQMHSTYUOXOKDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2ccn(c2nc1C)S(=O)(=O)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.319g/mol
Monoisotopic Mass:
317.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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