Cas no 93111-36-5 (1,3,5-Trichloropyridin-4(1H)-one)
93111-36-5 structure
Product Name:1,3,5-Trichloropyridin-4(1H)-one
CAS No:93111-36-5
MF:C5H2Cl3NO
MW:198.434478282928
CID:2816535
PubChem ID:13351798
Update Time:2025-04-21
1,3,5-Trichloropyridin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Trichloropyridin-4(1H)-one
- DTXSID40537941
- DTXCID00488728
- 93111-36-5
-
- Inchi： 1S/C5H2Cl3NO/c6-3-1-9(8)2-4(7)5(3)10/h1-2H
- InChI Key： ROTBZEUVNTVIRC-UHFFFAOYSA-N
- SMILES： ClC1=CN(C=C(C1=O)Cl)Cl
Computed Properties
- Exact Mass: 196.920197g/mol
- Monoisotopic Mass: 196.920197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 211
- 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: 2.6
- Topological Polar Surface Area: 20.3?2
1,3,5-Trichloropyridin-4(1H)-one Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
93111-36-5 (1,3,5-Trichloropyridin-4(1H)-one) Related Products
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