Cas no 98359-77-4 (Benzenesulfonyl chloride, 2,4,6-trinitro-)
98359-77-4 structure
Product Name:Benzenesulfonyl chloride, 2,4,6-trinitro-
CAS No:98359-77-4
MF:C6H2ClN3O8S
MW:311.613379001617
CID:2820743
Update Time:2023-08-07
Benzenesulfonyl chloride, 2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2,4,6-trinitro-
- 2,4,6-Trinitrobenzene-1-sulfonyl chloride
-
- Inchi： 1S/C6H2ClN3O8S/c7-19(17,18)6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
- InChI Key： QYVRLISBQOBDQB-UHFFFAOYSA-N
- SMILES： ClS(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 475
- XLogP3: 1.4
- Topological Polar Surface Area: 180
Benzenesulfonyl chloride, 2,4,6-trinitro- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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