Cas no 166331-84-6 (1H-Imidazole-1-carboxylicacid, fluoromethyl ester)
166331-84-6 structure
Product Name:1H-Imidazole-1-carboxylicacid, fluoromethyl ester
CAS No:166331-84-6
MF:C5H5FN2O2
MW:144.103804349899
CID:110751
PubChem ID:11008029
Update Time:2025-04-18
1H-Imidazole-1-carboxylicacid, fluoromethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-carboxylicacid, fluoromethyl ester
- fluoromethyl imidazole-1-carboxylate
- 1H-Imidazole-1-carboxylicacid,fluoromethylester(9CI)
- fluoromethyl 1H-imidazole-1-carboxylate
- Imidazole-1-carboxylic acid fluoromethyl ester
- DTXSID20451595
- 166331-84-6
- Fluoromethyl1H-imidazole-1-carboxylate
-
- Inchi： 1S/C5H5FN2O2/c6-3-10-5(9)8-2-1-7-4-8/h1-2,4H,3H2
- InChI Key： UYJSKWJSOVEWDA-UHFFFAOYSA-N
- SMILES： FCOC(N1C=NC=C1)=O
Computed Properties
- Exact Mass: 144.03350557g/mol
- Monoisotopic Mass: 144.03350557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 131
- 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: 0.5
- Topological Polar Surface Area: 44.1?2
1H-Imidazole-1-carboxylicacid, fluoromethyl ester 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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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