Cas no 630389-89-8 (Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]-)
![Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/630500/630389-89-8x500.png)
630389-89-8 structure
Product Name:Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]-
CAS No:630389-89-8
MF:C15H13F3O
MW:266.258334875107
CID:427441
PubChem ID:10333122
Update Time:2025-04-19
Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]-
- 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene
- DTXSID90438297
- 1,3-dimethyl-5-(4-(trifluoromethyl)phenoxy)benzene
- 630389-89-8
- SCHEMBL5357476
- PEACOMDHEUKJND-UHFFFAOYSA-N
-
- Inchi： 1S/C15H13F3O/c1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18/h3-9H,1-2H3
- InChI Key： PEACOMDHEUKJND-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=CC=1)OC1C=C(C)C=C(C)C=1)(F)F
Computed Properties
- Exact Mass: 266.09189
- Monoisotopic Mass: 266.09184952g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 5.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
630389-89-8 (Benzene, 1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]-) Related Products
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