Cas no 873655-56-2 (3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, 1-methylethyl ester)
873655-56-2 structure
Product Name:3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, 1-methylethyl ester
CAS No:873655-56-2
MF:C9H8Cl2FNO2
MW:252.069724082947
CID:1877989
PubChem ID:23110852
Update Time:2025-04-21
3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, 1-methylethyl ester
- propan-2-yl 2,6-dichloro-5-fluoropyridine-3-carboxylate
- DB-198357
- APZAYTTYRHSPCU-UHFFFAOYSA-N
- 873655-56-2
- SCHEMBL2919867
- DTXSID40630643
- isopropyl 2,6-dichloro-5-fluoronicotinate
-
- Inchi： 1S/C9H8Cl2FNO2/c1-4(2)15-9(14)5-3-6(12)8(11)13-7(5)10/h3-4H,1-2H3
- InChI Key： APZAYTTYRHSPCU-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=C(N=1)Cl)F)C(=O)OC(C)C
Computed Properties
- Exact Mass: 250.9916120Da
- Monoisotopic Mass: 250.9916120Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 240
- 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: 3.5
- Topological Polar Surface Area: 39.2?2
3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, 1-methylethyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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