Cas no 425394-33-8 (4,5-Dichloro-2-methyl-6-(trifluoromethyl)pyrimidine)
425394-33-8 structure
Product Name:4,5-Dichloro-2-methyl-6-(trifluoromethyl)pyrimidine
CAS No:425394-33-8
MF:C6H3Cl2F3N2
MW:231.002629518509
CID:2669883
PubChem ID:17856520
Update Time:2025-04-21
4,5-Dichloro-2-methyl-6-(trifluoromethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dichloro-2-methyl-6-(trifluoromethyl)pyrimidine
- 4,5-DICHLORO-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE
- SCHEMBL6718305
- 425394-33-8
- ODVDRGISTXKWNP-UHFFFAOYSA-N
- AB54882
- 4,5-Dichloro-2-methyl-6-(trifluoromethyl)pyrimidine
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- Inchi： 1S/C6H3Cl2F3N2/c1-2-12-4(6(9,10)11)3(7)5(8)13-2/h1H3
- InChI Key： ODVDRGISTXKWNP-UHFFFAOYSA-N
- SMILES： ClC1=C(N=C(C)N=C1C(F)(F)F)Cl
Computed Properties
- Exact Mass: 229.9625380Da
- Monoisotopic Mass: 229.9625380Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 3.1
- Topological Polar Surface Area: 25.8?2
4,5-Dichloro-2-methyl-6-(trifluoromethyl)pyrimidine Related Literature
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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