Cas no 56961-22-9 (1,2,4-Benzenetriol, 3,5,6-trichloro-)
56961-22-9 structure
Product Name:1,2,4-Benzenetriol, 3,5,6-trichloro-
CAS No:56961-22-9
MF:C6H3Cl3O3
MW:229.445219278336
CID:347235
PubChem ID:14455603
Update Time:2025-04-19
1,2,4-Benzenetriol, 3,5,6-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetriol, 3,5,6-trichloro-
- 3,5,6-trichlorobenzene-1,2,4-triol
- DTXSID80972418
- Trichloro-1,2,4-trihydroxybenzene
- 56961-22-9
- SCHEMBL3308638
-
- Inchi： 1S/C6H3Cl3O3/c7-1-2(8)5(11)6(12)3(9)4(1)10/h10-12H
- InChI Key： ORRYSFHTLNADQC-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=C1O)O)Cl)Cl)O
Computed Properties
- Exact Mass: 227.91489
- Monoisotopic Mass: 227.914777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 168
- 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: 3.3
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
1,2,4-Benzenetriol, 3,5,6-trichloro- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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