Cas no 923676-45-3 (3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole)
![3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole structure](https://ossimg.kuujia.com/scimg/924000/923676-45-3x500.png)
923676-45-3 structure
Product Name:3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
CAS No:923676-45-3
MF:C19H16Cl2F3N3O3S
MW:494.314851760864
CID:5711158
PubChem ID:16412753
Update Time:2023-10-14
3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
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- 3-[(3,4-dichlorobenzyl)sulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- 10R-1241
- AKOS005076302
- 3-[(3,4-dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- 3-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
- 923676-45-3
- 3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
-
- Inchi： 1S/C19H16Cl2F3N3O3S/c1-2-27-17(10-30-14-5-3-4-13(9-14)19(22,23)24)25-26-18(27)31(28,29)11-12-6-7-15(20)16(21)8-12/h3-9H,2,10-11H2,1H3
- InChI Key： XXWVAYGWOSFKDA-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)CS(C1=NN=C(COC2C=CC=C(C(F)(F)F)C=2)N1CC)(=O)=O)Cl
Computed Properties
- Exact Mass: 493.0241524g/mol
- Monoisotopic Mass: 493.0241524g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 695
- 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: 4.4
- Topological Polar Surface Area: 82.5?2
3-[(3,4-Dichlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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