Cas no 470691-29-3 (5-Chloro-2-(chlorosulfonyl)benzoic acid)
470691-29-3 structure
Product Name:5-Chloro-2-(chlorosulfonyl)benzoic acid
CAS No:470691-29-3
MF:C7H4Cl2O4S
MW:255.075259208679
CID:2114962
Update Time:2023-08-04
5-Chloro-2-(chlorosulfonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-chloro-2-(chlorosulfonyl)Benzoic acid
- 5-Chloro-2-(chlorosulfonyl)benzoic acid
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- Inchi： 1S/C7H4Cl2O4S/c8-4-1-2-6(14(9,12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
- InChI Key： KKEIHWBILZWLBX-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(=CC=1C(=O)O)Cl)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 321
- XLogP3: 2.2
- Topological Polar Surface Area: 79.8
5-Chloro-2-(chlorosulfonyl)benzoic acid Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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