Cas no 105708-06-3 (Pyrimidine, 4,5-dichloro-6-(chloromethyl)-)
105708-06-3 structure
Product Name:Pyrimidine, 4,5-dichloro-6-(chloromethyl)-
CAS No:105708-06-3
MF:C5H3Cl3N2
MW:197.449717760086
CID:1162688
PubChem ID:15713597
Update Time:2025-04-20
Pyrimidine, 4,5-dichloro-6-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,5-dichloro-6-(chloromethyl)-
- 4,5-dichloro-6-(chloromethyl)pyrimidine
- DTXSID50577257
- 4,5-Dichloro-6-(chloromethyl)-pyrimidine
- AKOS006306329
- SCHEMBL9524365
- 105708-06-3
-
- Inchi： 1S/C5H3Cl3N2/c6-1-3-4(7)5(8)10-2-9-3/h2H,1H2
- InChI Key： MHLODSYJYGXERC-UHFFFAOYSA-N
- SMILES： ClC1=C(N=CN=C1CCl)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: 111
- 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: 2.2
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4,5-dichloro-6-(chloromethyl)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
105708-06-3 (Pyrimidine, 4,5-dichloro-6-(chloromethyl)-) Related Products
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