Cas no 83817-48-5 (Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate)
83817-48-5 structure
Product Name:Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CAS No:83817-48-5
MF:C11H6Cl2KNO3
MW:310.174541950226
CID:733065
PubChem ID:23662482
Update Time:2025-04-19
Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
- potassium,3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- 4-ISOXAZOLECARBOXYLIC ACID, 3-(2,6-DICHLOROPHENYL)-5-METHYL-, POTASSIUM SALT (1:1)
- NS00090737
- EINECS 280-948-1
- DTXSID10232698
- 9E8H7956RU
- UNII-9E8H7956RU
- 83817-48-5
-
- Inchi： 1S/C11H7Cl2NO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1
- InChI Key： GGEWUHWWTYFCLC-UHFFFAOYSA-M
- SMILES： [K+].ClC1C=CC=C(C=1C1C(C(=O)[O-])=C(C)ON=1)Cl
Computed Properties
- Exact Mass: 308.93618
- Monoisotopic Mass: 308.93618
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 298
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.2
Experimental Properties
- Boiling Point: 383.6°C at 760 mmHg
- Flash Point: 185.8°C
Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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