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Home > Nitro Compounds > 18836-83-4
18836-83-4 | 1h-pyrrole, 1-[(4-nitrophenyl)sulfonyl]-
CAS No: 18836-83-4 Catalog No: AG002GV4 MDL No:
Product Description
Catalog Number:
AG002GV4
Chemical Name:
1h-pyrrole, 1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
18836-83-4
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
IUPAC Name:
1-(4-nitrophenyl)sulfonylpyrrole
InChI:
InChI=1S/C10H8N2O4S/c13-12(14)9-3-5-10(6-4-9)17(15,16)11-7-1-2-8-11/h1-8H
InChI Key:
XQLYKJOAKINWEF-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1cccc1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
102018
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Novel heteroaromatic organofluorine inhibitors of fructose-1,6-bisphosphatase. | Journal of medicinal chemistry 20090212 |
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