Cas no 944058-86-0 (Pyrimidine, 4-chloro-6-(chloromethyl)-2-(2-pyridinyl)-)
944058-86-0 structure
Product Name:Pyrimidine, 4-chloro-6-(chloromethyl)-2-(2-pyridinyl)-
CAS No:944058-86-0
MF:C10H7Cl2N3
MW:240.088679552078
CID:2143845
Update Time:2023-11-18
Pyrimidine, 4-chloro-6-(chloromethyl)-2-(2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-(chloromethyl)-2-pyridin-2-yl-pyrimidine
- JQZZDTIBMJXDCL-UHFFFAOYSA-N
- Pyrimidine, 4-chloro-6-(chloromethyl)-2-(2-pyridinyl)-
- CID 86650819
-
- Inchi： 1S/C10H7Cl2N3/c11-6-7-5-9(12)15-10(14-7)8-3-1-2-4-13-8/h1-5H,6H2
- InChI Key： JQZZDTIBMJXDCL-UHFFFAOYSA-N
- SMILES： ClCC1=CC(=NC(C2C=CC=CN=2)=N1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 203
- Topological Polar Surface Area: 38.7
Experimental Properties
- Density: 1.379±0.06 g/cm3(Predicted)
- Boiling Point: 296.3±40.0 °C(Predicted)
- pka: 0.11±0.19(Predicted)
Pyrimidine, 4-chloro-6-(chloromethyl)-2-(2-pyridinyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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