Cas no 89517-12-4 (3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester)
89517-12-4 structure
Product Name:3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester
CAS No:89517-12-4
MF:C16H10Cl2N2O2
MW:333.168801784515
CID:598009
PubChem ID:13264099
Update Time:2025-04-19
3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester
- (3,7-dichloroquinolin-8-yl)methyl pyridine-3-carboxylate
- (3,7-Dichloroquinolin-8-yl)methyl nicotinate
- DTXSID60532938
- 89517-12-4
-
- Inchi： 1S/C16H10Cl2N2O2/c17-12-6-10-3-4-14(18)13(15(10)20-8-12)9-22-16(21)11-2-1-5-19-7-11/h1-8H,9H2
- InChI Key： HJLHEFPKVYFWRB-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=CC(=CN=C2C=1COC(C1C=NC=CC=1)=O)Cl
Computed Properties
- Exact Mass: 332.0119330g/mol
- Monoisotopic Mass: 332.0119330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 396
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 52.1?2
3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
89517-12-4 (3-Pyridinecarboxylic acid, (3,7-dichloro-8-quinolinyl)methyl ester) Related Products
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