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Home > Nitro Compounds > 1227270-94-1
1227270-94-1 | 1H-Pyrrolo[3,2-c]pyridine, 3-nitro-1-(phenylsulfonyl)-
CAS No: 1227270-94-1 Catalog No: AG000J7T MDL No:
Product Description
Catalog Number:
AG000J7T
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine, 3-nitro-1-(phenylsulfonyl)-
CAS Number:
1227270-94-1
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-3-nitropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C13H8IN3O4S/c14-13-12(17(18)19)10-8-15-7-6-11(10)16(13)22(20,21)9-4-2-1-3-5-9/h1-8H
InChI Key:
SPUONAAEOUHWGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c2c1cncc2)S(=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:
428.928g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.188g/mol
Monoisotopic Mass:
428.928g/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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