Cas no 960198-53-2 (2-(2,5-Diluorophenyl)pyrimidine-5-carboxylic acid methyl ester)
960198-53-2 structure
Product Name:2-(2,5-Diluorophenyl)pyrimidine-5-carboxylic acid methyl ester
CAS No:960198-53-2
MF:C12H8F2N2O2
MW:250.200929641724
CID:891546
PubChem ID:45073369
Update Time:2025-04-19
2-(2,5-Diluorophenyl)pyrimidine-5-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,5-Diluorophenyl)pyrimidine-5-carboxylic acid methyl ester
- methyl 2-(2,5-difluorophenyl)pyrimidine-5-carboxylate
- 960198-53-2
- SCHEMBL1365709
-
- Inchi： 1S/C12H8F2N2O2/c1-18-12(17)7-5-15-11(16-6-7)9-4-8(13)2-3-10(9)14/h2-6H,1H3
- InChI Key： KMDZDNAPCIQWOM-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1C1N=CC(C(=O)OC)=CN=1)F
Computed Properties
- Exact Mass: 250.05500
- Monoisotopic Mass: 250.05538383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 296
- 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: 1.9
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08000
- LogP: 2.20840
2-(2,5-Diluorophenyl)pyrimidine-5-carboxylic acid methyl ester Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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