Cas no 86873-65-6 (5-Butyl-4-chloropyridine-2-carboxylic acid)
86873-65-6 structure
Product Name:5-Butyl-4-chloropyridine-2-carboxylic acid
CAS No:86873-65-6
MF:C10H12ClNO2
MW:213.660781860352
CID:660297
Update Time:2023-08-03
5-Butyl-4-chloropyridine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Pyridinecarboxylic acid, 5-butyl-4-chloro-
- 5-butyl-4-chloropyridine-2-carboxylic acid
- 5-Butyl-4-chloropyridine-2-carboxylic acid
-
- Inchi： 1S/C10H12ClNO2/c1-2-3-4-7-6-12-9(10(13)14)5-8(7)11/h5-6H,2-4H2,1H3,(H,13,14)
- InChI Key： PEGRJXVVDNTUFQ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)N=CC=1CCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 199
- Topological Polar Surface Area: 50.2
5-Butyl-4-chloropyridine-2-carboxylic acid Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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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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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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