Cas no 16937-12-5 (Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)-)
16937-12-5 structure
Product Name:Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)-
CAS No:16937-12-5
MF:C12H9N3O6S
MW:323.281361341476
CID:1350643
Update Time:2024-11-04
Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)-
- 4-Nitro-N-(3-nitrophenyl)benzenesulfonaMide, 97%
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- MDL： MFCD00406324
- Inchi： 1S/C12H9N3O6S/c16-14(17)10-4-6-12(7-5-10)22(20,21)13-9-2-1-3-11(8-9)15(18)19/h1-8,13H
- InChI Key： HJAJCHSWQFTNAR-UHFFFAOYSA-N
- SMILES： C1(S(NC2=CC=CC([N+]([O-])=O)=C2)(=O)=O)=CC=C([N+]([O-])=O)C=C1
Computed Properties
- Exact Mass: 323.02127
- Monoisotopic Mass: 323.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 513
- 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: 2.7
Experimental Properties
- Density: 1.598±0.06 g/cm3(Predicted)
- Boiling Point: 519.6±60.0 °C(Predicted)
- PSA: 132.45
- pka: 5.81±0.10(Predicted)
Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
16937-12-5 (Benzenesulfonamide, 4-nitro-N-(3-nitrophenyl)-) Related Products
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