Cas no 1394348-62-9 (Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-)
1394348-62-9 structure
Product Name:Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-
CAS No:1394348-62-9
MF:C12H8ClNO3
MW:249.649822235107
CID:2140816
Update Time:2023-08-04
Benzoic acid, 2-chloro-5-(3-pyridinyloxy)- Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-5-(pyridin-3-yloxy)-benzoic acid
- Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-
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- Inchi: 1S/C12H8ClNO3/c13-11-4-3-8(6-10(11)12(15)16)17-9-2-1-5-14-7-9/h1-7H,(H,15,16)
- InChI Key: LCKRKTZWIARXSR-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=C1C(=O)O)OC1C=NC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 275
- XLogP3: 2
- Topological Polar Surface Area: 59.4
Benzoic acid, 2-chloro-5-(3-pyridinyloxy)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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