Cas no 62489-04-7 (Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)-)
![Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)- structure](https://ossimg.kuujia.com/scimg/62500/62489-04-7x500.png)
62489-04-7 structure
Product Name:Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)-
CAS No:62489-04-7
MF:C18H13NO6S2
MW:403.42892241478
CID:443019
PubChem ID:20360599
Update Time:2025-04-19
Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)-
- 1-[4-(benzenesulfonyl)phenyl]sulfonyl-4-nitrobenzene
- 62489-04-7
- SCHEMBL11655146
- 1-(Benzenesulfonyl)-4-(4-nitrobenzene-1-sulfonyl)benzene
- DTXSID20606028
-
- Inchi： 1S/C18H13NO6S2/c20-19(21)14-6-8-16(9-7-14)27(24,25)18-12-10-17(11-13-18)26(22,23)15-4-2-1-3-5-15/h1-13H
- InChI Key： FFMLXDBGTYARNJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)[N+](=O)[O-])(C1C=CC(=CC=1)S(C1C=CC=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 403.01849
- Monoisotopic Mass: 403.01842948g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 709
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 111.42
Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
62489-04-7 (Benzene, 1-[(4-nitrophenyl)sulfonyl]-4-(phenylsulfonyl)-) Related Products
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