Cas no 74840-31-6 (Ethyl 5-chloro-2-methylpyrimidine-4-carboxylate)
74840-31-6 structure
Product Name:Ethyl 5-chloro-2-methylpyrimidine-4-carboxylate
CAS No:74840-31-6
MF:C8H9ClN2O2
MW:200.622260808945
CID:2800983
Update Time:2023-08-07
Ethyl 5-chloro-2-methylpyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ETHYL 5-CHLORO-2-METHYLPYRIMIDINE-4-CARBOXYLATE
- AB71474
- Ethyl 5-chloro-2-methylpyrimidine-4-carboxylate
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- Inchi： 1S/C8H9ClN2O2/c1-3-13-8(12)7-6(9)4-10-5(2)11-7/h4H,3H2,1-2H3
- InChI Key： KCJFPKWOCRPKCJ-UHFFFAOYSA-N
- SMILES： ClC1=CN=C(C)N=C1C(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 189
- XLogP3: 1.8
- Topological Polar Surface Area: 52.1
Ethyl 5-chloro-2-methylpyrimidine-4-carboxylate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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