Cas no 85813-73-6 (Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-)
85813-73-6 structure
Product Name:Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-
CAS No:85813-73-6
MF:C8H4F3NO3S
MW:251.18247127533
CID:663106
PubChem ID:11817579
Update Time:2025-04-19
Benzenesulfonyl isocyanate, 2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-
- N-(oxomethylidene)-2-(trifluoromethyl)benzenesulfonamide
- 2-trifluoromethylphenylsulfonyl isocyanate
- DTXSID10473605
- SCHEMBL6985457
- NS00007802
- 2-trifluoromethylbenzenesulfonyl isocyanate
- 85813-73-6
- 2-(trifluoromethyl)benzenesulfonyl isocyanate
- EC 617-763-6
- 2-trifluoromethylphenylsulphonyl isocyanate
-
- Inchi： 1S/C8H4F3NO3S/c9-8(10,11)6-3-1-2-4-7(6)16(14,15)12-5-13/h1-4H
- InChI Key： QQYWUZHDPAYMOO-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(F)(F)F)(N=C=O)(=O)=O
Computed Properties
- Exact Mass: 250.98639865g/mol
- Monoisotopic Mass: 250.98639865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 392
- 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: 3.2
- Topological Polar Surface Area: 72?2
Benzenesulfonyl isocyanate, 2-(trifluoromethyl)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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