Cas no 7257-91-2 ( )
structure
Product Name:
CAS No:7257-91-2
MF:C6H3Cl2N3O2S
MW:252.077917337418
CID:977353
PubChem ID:4429649
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,4-dichloro-N-diazobenzenesulfonamide
- AC1NAND4
- NCIOpen2_005935
- NSC92565
- NSC-92565
- 7257-91-2
- DTXSID20403211
-
-
- Inchi： 1S/C6H3Cl2N3O2S/c7-5-2-1-4(3-6(5)8)14(12,13)11-10-9/h1-3H
- InChI Key： QACOICIODXWXQP-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)S(N=[N+]=[N-])(=O)=O)Cl
Computed Properties
- Exact Mass: 250.93200
- Monoisotopic Mass: 250.932
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 347
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 56.9A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 92.27000
- LogP: 3.52596
Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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