Cas no 1078-48-4 (Benzenesulfonamide,3-nitro-, sodium salt (1:1))
1078-48-4 structure
Product Name:Benzenesulfonamide,3-nitro-, sodium salt (1:1)
CAS No:1078-48-4
MF:C6H6N2NaO4S
MW:225.177610874176
CID:225960
PubChem ID:54608347
Update Time:2025-04-19
Benzenesulfonamide,3-nitro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,3-nitro-, sodium salt (1:1)
- sodium,3-nitrobenzenesulfonamide
- NSC227921
- NSC-227921
- 1078-48-4
- sodium;3-nitrobenzenesulfonamide
- DTXSID60714696
-
- Inchi： 1S/C6H6N2O4S.Na/c7-13(11,12)6-3-1-2-5(4-6)8(9)10;/h1-4H,(H2,7,11,12);/q;+1
- InChI Key： GIJKJXPOQYWCRD-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)[N+](=O)[O-])(N)(=O)=O.[Na+]
Computed Properties
- Exact Mass: 223.98685
- Monoisotopic Mass: 224.99459713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 299
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 101.08
- LogP: 2.54650
Benzenesulfonamide,3-nitro-, sodium salt (1:1) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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
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