Cas no 898227-65-1 (3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethyl ester)
898227-65-1 structure
Product Name:3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethyl ester
CAS No:898227-65-1
MF:C11H11ClN2O2
MW:238.670241594315
CID:587997
Update Time:2023-11-18
3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethylester
- isopropyl 6-chloro-3-cyano-2-methylnicotinate
- isopropyl 6-chloro-5-cyano-2-methylnicotinate
- YLHYQBHTLWRBKT-UHFFFAOYSA-N
- CID 86618131
- 3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethyl ester
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- Inchi： 1S/C11H11ClN2O2/c1-6(2)16-11(15)9-4-8(5-13)10(12)14-7(9)3/h4,6H,1-3H3
- InChI Key： YLHYQBHTLWRBKT-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C=C(C(=O)OC(C)C)C(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 310
- Topological Polar Surface Area: 63
3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, 1-methylethyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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