Cas no 1215868-10-2 (4-Pyridinecarboxylic acid, 2-chloro-5-(4-methoxyphenoxy)-)
1215868-10-2 structure
Product Name:4-Pyridinecarboxylic acid, 2-chloro-5-(4-methoxyphenoxy)-
CAS No:1215868-10-2
MF:C13H10ClNO4
MW:279.675802707672
CID:2122032
Update Time:2023-11-19
4-Pyridinecarboxylic acid, 2-chloro-5-(4-methoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-(4-methoxyphenoxy)isonicotinic acid
- 4-Pyridinecarboxylic acid, 2-chloro-5-(4-methoxyphenoxy)-
- CID 87321440
-
- Inchi： 1S/C13H10ClNO4/c1-18-8-2-4-9(5-3-8)19-11-7-15-12(14)6-10(11)13(16)17/h2-7H,1H3,(H,16,17)
- InChI Key： RFSDLSPPLMKYSM-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)O)=C(C=N1)OC1C=CC(=CC=1)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 307
- Topological Polar Surface Area: 68.6
Experimental Properties
- Density: 1.386±0.06 g/cm3(Predicted)
- Boiling Point: 482.9±45.0 °C(Predicted)
- pka: 2.07±0.36(Predicted)
4-Pyridinecarboxylic acid, 2-chloro-5-(4-methoxyphenoxy)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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