Cas no 847157-48-6 (Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester)
![Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/847500/847157-48-6x500.png)
847157-48-6 structure
Product Name:Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester
CAS No:847157-48-6
MF:C10H12INO4S
MW:369.176054000854
CID:583259
PubChem ID:71406924
Update Time:2025-04-19
Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester
- methyl 3-iodo-5-[methyl(methylsulfonyl)amino]benzoate
- 847157-48-6
- Methyl 3-iodo-5-[(methanesulfonyl)(methyl)amino]benzoate
- DTXSID90827521
-
- Inchi： 1S/C10H12INO4S/c1-12(17(3,14)15)9-5-7(10(13)16-2)4-8(11)6-9/h4-6H,1-3H3
- InChI Key： MLQYFGZOZAWEET-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)OC)C=C(C=1)N(C)S(C)(=O)=O
Computed Properties
- Exact Mass: 368.95318g/mol
- Monoisotopic Mass: 368.95318g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 378
- 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: 1.6
- Topological Polar Surface Area: 72.1?2
Benzoic acid, 3-iodo-5-[methyl(methylsulfonyl)amino]-, methyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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