Cas no 172225-58-0 (Pyrimidine,4-chloro-5-(dichloromethyl)-)
172225-58-0 structure
Product Name:Pyrimidine,4-chloro-5-(dichloromethyl)-
CAS No:172225-58-0
MF:C5H3Cl3N2
MW:197.449717760086
CID:111469
PubChem ID:15211311
Update Time:2025-04-18
Pyrimidine,4-chloro-5-(dichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-chloro-5-(dichloromethyl)-
- Pyrimidine, 4-chloro-5-(dichloromethyl)- (9CI)
- 4-Chloro-5-(dichloromethyl)pyrimidine
- 172225-58-0
-
- Inchi： 1S/C5H3Cl3N2/c6-4(7)3-1-9-2-10-5(3)8/h1-2,4H
- InChI Key： FUGKONDQQBUWQV-UHFFFAOYSA-N
- SMILES： ClC(C1=CN=CN=C1Cl)Cl
Computed Properties
- Exact Mass: 195.93639
- Monoisotopic Mass: 195.936181g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 109
- 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: 2.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,4-chloro-5-(dichloromethyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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