Cas no 68938-80-7 (Benzoic acid,3,6-dichloro-2-hydroxy-, potassium salt (1:2))
68938-80-7 structure
Product Name:Benzoic acid,3,6-dichloro-2-hydroxy-, potassium salt (1:2)
CAS No:68938-80-7
MF:C7H2Cl2K2O3
MW:283.191582202911
CID:503995
PubChem ID:111862
Update Time:2025-04-19
Benzoic acid,3,6-dichloro-2-hydroxy-, potassium salt (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,6-dichloro-2-hydroxy-, potassium salt (1:2)
- dipotassium 3,6-dichlorosalicylate
- Benzoic acid, 3,6-dichloro-2-hydroxy-, dipotassium salt
- dipotassium 3,6-dichloro-2-oxidobenzoate
- starbld0000912
- DTXSID8028898
- Benzoic acid, 3,6-dichloro-2-hydroxy-, potassium salt (1:2)
- Potassium 3,6-dichloro-2-oxidobenzoate
- EINECS 273-146-8
- 68938-80-7
-
- Inchi： 1S/C7H4Cl2O3.2K/c8-3-1-2-4(9)6(10)5(3)7(11)12;;/h1-2,10H,(H,11,12);;/q;2*+1/p-2
- InChI Key： OCBVAAUEJHVUHR-UHFFFAOYSA-L
- SMILES： [K+].[K+].ClC1=CC=C(C(=C1C(=O)[O-])[O-])Cl
Computed Properties
- Exact Mass: 487.81938
- Monoisotopic Mass: 281.8655123g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 180
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.2?2
Experimental Properties
- PSA: 120.72
Benzoic acid,3,6-dichloro-2-hydroxy-, potassium salt (1:2) Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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