Cas no 23586-89-2 (3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI))
23586-89-2 structure
Product Name:3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI)
CAS No:23586-89-2
MF:C18H18F2N2O4
MW:364.343331813812
CID:257236
PubChem ID:211815
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI)
- 6-(5-fluoropyridine-3-carbonyl)oxyhexyl 5-fluoropyridine-3-carboxylate
- BRN 0497123
- 3-Pyridinecarboxylic acid, 5-fluoro-, 1,6-hexanediyl ester
- 23586-89-2
- DTXSID10178229
- 1,6-Hexanediyl 5-fluoro-3-pyridinecarboxylate
- 1,6-Hexanediol, bis(5-fluoronicotinate)
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- Inchi： 1S/C18H18F2N2O4/c19-15-7-13(9-21-11-15)17(23)25-5-3-1-2-4-6-26-18(24)14-8-16(20)12-22-10-14/h7-12H,1-6H2
- InChI Key： JYLMYTKLNCGRFX-UHFFFAOYSA-N
- SMILES： FC1=CN=CC(=C1)C(=O)OCCCCCCOC(C1C=NC=C(C=1)F)=O
Computed Properties
- Exact Mass: 364.12354
- Monoisotopic Mass: 364.12346338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 413
- 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: 2.8
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.38
3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
23586-89-2 (3-Pyridinecarboxylicacid, 5-fluoro-, 1,6-hexanediyl ester (9CI)) Related Products
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