Cas no 914776-40-2 ( )
structure
Product Name:
CAS No:914776-40-2
MF:C8H5F3N2O2S
MW:250.197710752487
CID:867547
PubChem ID:53430921
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 5-amino-2-(trifluoromethylsulfonyl)benzonitrile
- 914776-40-2
- 3-cyano-4-trifluoromethanesulfonyl aniline
- DTXSID90700269
- 5-Amino-2-(trifluoromethanesulfonyl)benzonitrile
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- Inchi： 1S/C8H5F3N2O2S/c9-8(10,11)16(14,15)7-2-1-6(13)3-5(7)4-12/h1-3H,13H2
- InChI Key： RDJPWNLKLJCBBZ-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC(=CC=1C#N)N)(=O)=O
Computed Properties
- Exact Mass: 250.00238307g/mol
- Monoisotopic Mass: 250.00238307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 403
- 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: 1.4
- Topological Polar Surface Area: 92.3?2
Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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