Cas no 827579-81-7 (Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-)
827579-81-7 structure
Product Name:Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-
CAS No:827579-81-7
MF:C8H8INO4S
MW:341.122893333435
CID:683715
PubChem ID:71417354
Update Time:2025-04-19
Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-
- 3-iodo-5-(methanesulfonamido)benzoic acid
- DTXSID50836694
- FT-0723666
- 827579-81-7
- 3-Iodo-5-[(methanesulfonyl)amino]benzoic acid
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- Inchi: 1S/C8H8INO4S/c1-15(13,14)10-7-3-5(8(11)12)2-6(9)4-7/h2-4,10H,1H3,(H,11,12)
- InChI Key: RJKTVIMLESOQGZ-UHFFFAOYSA-N
- SMILES: IC1C=C(C(=O)O)C=C(C=1)NS(C)(=O)=O
Computed Properties
- Exact Mass: 340.92188g/mol
- Monoisotopic Mass: 340.92188g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 337
- 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: 1.1
- Topological Polar Surface Area: 91.8?2
Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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