Cas no 889954-48-7 (6-Chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine)
889954-48-7 structure
Product Name:6-Chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine
CAS No:889954-48-7
MF:C5H2ClF3N4O2
MW:242.543189525604
CID:5012375
Update Time:2023-08-24
6-Chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine
- 6-Chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine
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- Inchi： 1S/C5H2ClF3N4O2/c6-2-1(13(14)15)3(10)12-4(11-2)5(7,8)9/h(H2,10,11,12)
- InChI Key： BIKMDLCTZFHPMK-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N)N=C(C(F)(F)F)N=1)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 258
- XLogP3: 2.1
- Topological Polar Surface Area: 97.6
6-Chloro-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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