Cas no 1092568-82-5 (Methyl 3-(5-methylpyrimidin-2-yl)benzoate)
1092568-82-5 structure
Product Name:Methyl 3-(5-methylpyrimidin-2-yl)benzoate
CAS No:1092568-82-5
MF:C13H12N2O2
MW:228.246582984924
CID:2109340
Update Time:2023-08-04
Methyl 3-(5-methylpyrimidin-2-yl)benzoate Chemical and Physical Properties
Names and Identifiers
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- methyl 3-(5-methylpyrimidin-2-yl)benzoate
- JFNFEDGNAHPKGL-UHFFFAOYSA-N
- Methyl 3-(5-methylpyrimidin-2-yl)benzoate
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- Inchi： 1S/C13H12N2O2/c1-9-7-14-12(15-8-9)10-4-3-5-11(6-10)13(16)17-2/h3-8H,1-2H3
- InChI Key： JFNFEDGNAHPKGL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(C2N=CC(C)=CN=2)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 262
- XLogP3: 2.7
- Topological Polar Surface Area: 52.1
Methyl 3-(5-methylpyrimidin-2-yl)benzoate Related Literature
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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