Cas no 887410-55-1 (Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate)
887410-55-1 structure
Product Name:Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate
CAS No:887410-55-1
MF:C10H11F3N2O2
MW:248.201752901077
CID:2622469
PubChem ID:22831805
Update Time:2025-04-21
Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate Chemical and Physical Properties
Names and Identifiers
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- 887410-55-1
- ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate
- HPCDPLVEVKJHFD-UHFFFAOYSA-N
- Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate
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- Inchi： 1S/C10H11F3N2O2/c1-3-7-14-5-6(9(16)17-4-2)8(15-7)10(11,12)13/h5H,3-4H2,1-2H3
- InChI Key： HPCDPLVEVKJHFD-UHFFFAOYSA-N
- SMILES： FC(C1C(C(=O)OCC)=CN=C(CC)N=1)(F)F
Computed Properties
- Exact Mass: 248.07726208Da
- Monoisotopic Mass: 248.07726208Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 271
- 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: 52.1?2
Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
887410-55-1 (Ethyl 2-ethyl-4-trifluoromethyl-5-pyrimidine carboxylate) Related Products
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