Cas no 97635-45-5 (2-Pyridinecarboxylicacid, 3,6-dichloro-, 2-ethylhexyl ester)
97635-45-5 structure
Product Name:2-Pyridinecarboxylicacid, 3,6-dichloro-, 2-ethylhexyl ester
CAS No:97635-45-5
MF:C14H19Cl2NO2
MW:304.212162256241
CID:809539
PubChem ID:175711
Update Time:2025-04-19
2-Pyridinecarboxylicacid, 3,6-dichloro-, 2-ethylhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 3,6-dichloro-, 2-ethylhexyl ester
- 2-ethylhexyl 3,6-dichloropyridine-2-carboxylate
- AKOS010419886
- DTXSID30913775
- EINECS 307-405-4
- NS00066610
- 97635-45-5
- 2-Pyridinecarboxylic acid, 3,6-dichloro-, 2-ethylhexyl ester
-
- Inchi： 1S/C14H19Cl2NO2/c1-3-5-6-10(4-2)9-19-14(18)13-11(15)7-8-12(16)17-13/h7-8,10H,3-6,9H2,1-2H3
- InChI Key： BOOFNDJFNWCPQD-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(N=C1C(=O)OCC(CC)CCCC)Cl
Computed Properties
- Exact Mass: 303.0792842g/mol
- Monoisotopic Mass: 303.0792842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.8
- Topological Polar Surface Area: 39.2?2
2-Pyridinecarboxylicacid, 3,6-dichloro-, 2-ethylhexyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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