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Home > Nitro Compounds > 896-80-0
896-80-0 | Benzene,2,4-dinitro-1-(phenylsulfonyl)-
CAS No: 896-80-0 Catalog No: AG0044I4 MDL No:
Product Description
Catalog Number:
AG0044I4
Chemical Name:
Benzene,2,4-dinitro-1-(phenylsulfonyl)-
CAS Number:
896-80-0
Molecular Formula:
C12H8N2O6S
Molecular Weight:
308.2667
IUPAC Name:
1-(benzenesulfonyl)-2,4-dinitrobenzene
InChI:
InChI=1S/C12H8N2O6S/c15-13(16)9-6-7-12(11(8-9)14(17)18)21(19,20)10-4-2-1-3-5-10/h1-8H
InChI Key:
XGDSNKQDAAZGFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.01g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.264g/mol
Monoisotopic Mass:
308.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. | Antimicrobial agents and chemotherapy 19930401 |
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