Cas no 4559-30-2 (Benzoic acid,2,3,6-trichloro-, potassium salt (1:1))
4559-30-2 structure
Product Name:Benzoic acid,2,3,6-trichloro-, potassium salt (1:1)
CAS No:4559-30-2
MF:C7H2Cl3KO2
MW:263.546880245209
CID:331427
PubChem ID:23686428
Update Time:2025-04-19
Benzoic acid,2,3,6-trichloro-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,3,6-trichloro-, potassium salt (1:1)
- Potassium 2,3,6-trichlorobenzoate
- EINECS 224-927-7
- AKOS003051789
- 4559-30-2
- AKOS022190585
- NS00083591
- DTXSID80196556
- SCHEMBL22031655
-
- Inchi： 1S/C7H3Cl3O2.K/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
- InChI Key： KJMADHVXBWVFBX-UHFFFAOYSA-M
- SMILES： [K+].ClC1C(=CC=C(C=1C(=O)[O-])Cl)Cl
Computed Properties
- Exact Mass: 261.87586
- Monoisotopic Mass: 261.875744g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 191
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- PSA: 40.13
Benzoic acid,2,3,6-trichloro-, potassium salt (1:1) Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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