Cas no 960198-52-1 (2-(2-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester)
960198-52-1 structure
Product Name:2-(2-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester
CAS No:960198-52-1
MF:C12H9FN2O2
MW:232.210466146469
CID:891544
PubChem ID:45073368
Update Time:2025-04-19
2-(2-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester
- methyl 2-(2-fluorophenyl)pyrimidine-5-carboxylate
- 960198-52-1
-
- Inchi： 1S/C12H9FN2O2/c1-17-12(16)8-6-14-11(15-7-8)9-4-2-3-5-10(9)13/h2-7H,1H3
- InChI Key： GGEZWNGAVOALPU-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1C1N=CC(C(=O)OC)=CN=1
Computed Properties
- Exact Mass: 232.06500
- Monoisotopic Mass: 232.06480570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 267
- 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: 1.8
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08000
- LogP: 2.06930
2-(2-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester Related Literature
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1. Agricultural
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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