Cas no 250726-40-0 (Ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate)
250726-40-0 structure
Product Name:Ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate
CAS No:250726-40-0
MF:C8H10N2O4S
MW:230.241000652313
CID:2129058
Update Time:2023-08-03
Ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid ethyl ester
- Ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate
- 2-Methanesulfonyl-pyrimidine-4-carboxylic acid ethyl ester
- 6892AB
- AX8076298
- ethyl 2-methylsulfonylpyrimidine-4-carboxylate
- Ethyl 2-(methanesulfonyl)pyrimidine-4-carboxylate
- A828059
- 2-methylsulfonyl-4-pyrimidinecarboxylic acid ethyl ester
- 2-methanesulfonylpyrimidine-4-carboxylic acid ethyl ester
-
- Inchi： 1S/C8H10N2O4S/c1-3-14-7(11)6-4-5-9-8(10-6)15(2,12)13/h4-5H,3H2,1-2H3
- InChI Key： LGRHFBUCESQSOB-UHFFFAOYSA-N
- SMILES： S(C)(C1N=CC=C(C(=O)OCC)N=1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 322
- Topological Polar Surface Area: 94.6
Ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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