Cas no 646039-95-4 (Benzenesulfonamide, 4-chloro-N-(3,5-dichlorophenyl)-3-nitro-)
646039-95-4 structure
Product Name:Benzenesulfonamide, 4-chloro-N-(3,5-dichlorophenyl)-3-nitro-
CAS No:646039-95-4
MF:C12H7Cl3N2O4S
MW:381.618978738785
CID:422218
PubChem ID:7938779
Update Time:2025-04-19
Benzenesulfonamide, 4-chloro-N-(3,5-dichlorophenyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-chloro-N-(3,5-dichlorophenyl)-3-nitro-
- 4-chloro-N-(3,5-dichlorophenyl)-3-nitrobenzenesulfonamide
- SCHEMBL5225868
- 646039-95-4
- DTXSID50428972
-
- Inchi： 1S/C12H7Cl3N2O4S/c13-7-3-8(14)5-9(4-7)16-22(20,21)10-1-2-11(15)12(6-10)17(18)19/h1-6,16H
- InChI Key： FCWVUYHHAUSXHE-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1[N+](=O)[O-])S(NC1C=C(C=C(C=1)Cl)Cl)(=O)=O
Computed Properties
- Exact Mass: 379.91941
- Monoisotopic Mass: 379.919211g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 498
- 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: 4.1
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 89.31
Benzenesulfonamide, 4-chloro-N-(3,5-dichlorophenyl)-3-nitro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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