Cas no 23723-19-5 (3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester)
23723-19-5 structure
Product Name:3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester
CAS No:23723-19-5
MF:C12H16FNO2
MW:225.259346961975
CID:266073
PubChem ID:211888
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester
- Nicotinic acid, 5-fluoro-, hexyl ester (8CI)
- hexyl 5-fluoropyridine-3-carboxylate
- 3-Pyridinecarboxylic acid, 5-fluoro-, hexyl ester
- Hexyl 5-fluoro-3-pyridinecarboxylate
- BRN 0476298
- DTXSID50178384
- Hexyl 5-fluoronicotinate
- Nicotinic acid, 5-fluoro-, hexyl ester
- 23723-19-5
-
- Inchi： 1S/C12H16FNO2/c1-2-3-4-5-6-16-12(15)10-7-11(13)9-14-8-10/h7-9H,2-6H2,1H3
- InChI Key： MQTGTJYYMUSIPL-UHFFFAOYSA-N
- SMILES： FC1=CN=CC(=C1)C(=O)OCCCCCC
Computed Properties
- Exact Mass: 225.11658
- Monoisotopic Mass: 225.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 211
- 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: 39.2?2
Experimental Properties
- Density: 1.086
- Boiling Point: 287.1°Cat760mmHg
- Flash Point: 127.5°C
- Refractive Index: 1.483
- PSA: 39.19
3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
23723-19-5 (3-Pyridinecarboxylicacid, 5-fluoro-, hexyl ester) Related Products
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