Cas no 6421-52-9 (1,2,3-Benzenetricarboxylic acid, 4,5,6-trichloro-, trimethyl ester)
6421-52-9 structure
Product Name:1,2,3-Benzenetricarboxylic acid, 4,5,6-trichloro-, trimethyl ester
CAS No:6421-52-9
MF:C12H9Cl3O6
MW:355.55526137352
CID:424554
PubChem ID:15640506
Update Time:2025-04-19
1,2,3-Benzenetricarboxylic acid, 4,5,6-trichloro-, trimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetricarboxylic acid, 4,5,6-trichloro-, trimethyl ester
- trimethyl 4,5,6-trichlorobenzene-1,2,3-tricarboxylate
- 6421-52-9
- DTXSID20576151
-
- Inchi： 1S/C12H9Cl3O6/c1-19-10(16)4-5(11(17)20-2)7(13)9(15)8(14)6(4)12(18)21-3/h1-3H3
- InChI Key： ZGWPPAYZFHUHQI-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(C(=O)OC)=C(C(=O)OC)C=1C(=O)OC)Cl)Cl
Computed Properties
- Exact Mass: 353.94657
- Monoisotopic Mass: 353.946471g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 399
- 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: 3.6
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1,2,3-Benzenetricarboxylic acid, 4,5,6-trichloro-, trimethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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