Cas no 1292209-81-4 (2-(Chlorosulfonylmethyl)benzoic acid)
1292209-81-4 structure
Product Name:2-(Chlorosulfonylmethyl)benzoic acid
CAS No:1292209-81-4
MF:C8H7ClO4S
MW:234.656780481339
CID:2104115
Update Time:2023-08-03
2-(Chlorosulfonylmethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-((chlorosulfonyl)methyl)benzoic acid
- 2-(Chlorosulfonylmethyl)benzoic acid
-
- Inchi： 1S/C8H7ClO4S/c9-14(12,13)5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key： NOUNVKQUGFAZTJ-UHFFFAOYSA-N
- SMILES： ClS(CC1C=CC=CC=1C(=O)O)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 306
- XLogP3: 2.1
- Topological Polar Surface Area: 79.8
2-(Chlorosulfonylmethyl)benzoic acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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