Cas no 52374-17-1 (Benzenesulfonamide, N-hexyl-3-nitro-)
52374-17-1 structure
Product Name:Benzenesulfonamide, N-hexyl-3-nitro-
CAS No:52374-17-1
MF:C12H18N2O4S
MW:286.347321987152
CID:359810
PubChem ID:19203725
Update Time:2025-04-19
Benzenesulfonamide, N-hexyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-hexyl-3-nitro-
- N-hexyl-3-nitrobenzenesulfonamide
- AKOS003041138
- N-Hexyl-3-nitrobenzene-1-sulfonamide
- 52374-17-1
- DTXSID20598196
-
- MDL： MFCD05659927
- Inchi： 1S/C12H18N2O4S/c1-2-3-4-5-9-13-19(17,18)12-8-6-7-11(10-12)14(15)16/h6-8,10,13H,2-5,9H2,1H3
- InChI Key： OOQRQJRKOPBRCC-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)[N+](=O)[O-])(NCCCCCC)(=O)=O
Computed Properties
- Exact Mass: 286.09884
- Monoisotopic Mass: 286.09872823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 372
- 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: 3.1
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 89.31
Benzenesulfonamide, N-hexyl-3-nitro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
52374-17-1 (Benzenesulfonamide, N-hexyl-3-nitro-) Related Products
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