Cas no 124420-70-8 (Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)-)
124420-70-8 structure
Product Name:Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)-
CAS No:124420-70-8
MF:C8H9Cl3N2
MW:239.529458761215
CID:187613
PubChem ID:180250
Update Time:2025-04-19
Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)-
- 4,6-dichloro-5-(1-chloro-2-methylpropan-2-yl)pyrimidine
- 124420-70-8
- DTXSID30154368
-
- Inchi： 1S/C8H9Cl3N2/c1-8(2,3-9)5-6(10)12-4-13-7(5)11/h4H,3H2,1-2H3
- InChI Key： QYRBSLMELTYZEP-UHFFFAOYSA-N
- SMILES： ClCC(C)(C)C1=C(N=CN=C1Cl)Cl
Computed Properties
- Exact Mass: 237.98337
- Monoisotopic Mass: 237.983131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 3.9
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
124420-70-8 (Pyrimidine,4,6-dichloro-5-(2-chloro-1,1-dimethylethyl)-) Related Products
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