Cas no 88404-81-3 (Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)-)
![Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/88500/88404-81-3x500.png)
88404-81-3 structure
Product Name:Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)-
CAS No:88404-81-3
MF:C9H10F3NO2S
MW:253.241411685944
CID:634038
PubChem ID:13318231
Update Time:2025-04-19
Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)-
- 2-(methylsulfonylmethyl)-6-(trifluoromethyl)aniline
- DTXSID90536641
- 88404-81-3
- 2-[(Methanesulfonyl)methyl]-6-(trifluoromethyl)aniline
- SCHEMBL11095578
- MJKGXKMAWXTBHJ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H10F3NO2S/c1-16(14,15)5-6-3-2-4-7(8(6)13)9(10,11)12/h2-4H,5,13H2,1H3
- InChI Key： MJKGXKMAWXTBHJ-UHFFFAOYSA-N
- SMILES： S(C)(CC1C=CC=C(C(F)(F)F)C=1N)(=O)=O
Computed Properties
- Exact Mass: 253.03843422g/mol
- Monoisotopic Mass: 253.03843422g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 334
- 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: 1.3
- Topological Polar Surface Area: 68.5?2
Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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