Cas no 119805-52-6 (2-Pyridinecarboxylicacid, 3,6-dichloro-, decyl ester)
119805-52-6 structure
Product Name:2-Pyridinecarboxylicacid, 3,6-dichloro-, decyl ester
CAS No:119805-52-6
MF:C16H23Cl2NO2
MW:332.26532292366
CID:218106
PubChem ID:189701
Update Time:2025-04-19
2-Pyridinecarboxylicacid, 3,6-dichloro-, decyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 3,6-dichloro-, decyl ester
- decyl 3,6-dichloropyridine-2-carboxylate
- Clopyralid 1-decyl ester
- DTXSID70152601
- 2-Pyridinecarboxylic acid, 3,6-dichloro-, decyl ester
- 119805-52-6
-
- Inchi: 1S/C16H23Cl2NO2/c1-2-3-4-5-6-7-8-9-12-21-16(20)15-13(17)10-11-14(18)19-15/h10-11H,2-9,12H2,1H3
- InChI Key: CBLCSWNYVSKUON-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(N=C1C(=O)OCCCCCCCCCC)Cl
Computed Properties
- Exact Mass: 331.11079
- Monoisotopic Mass: 331.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 290
- 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: 7.1
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Density: 1.133
- Boiling Point: 420.2°C at 760 mmHg
- Flash Point: 207.9°C
- Refractive Index: 1.509
- PSA: 39.19
2-Pyridinecarboxylicacid, 3,6-dichloro-, decyl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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