Cas no 19471-29-5 (2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid)
![2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/19500/19471-29-5x500.png)
19471-29-5 structure
Product Name:2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid
CAS No:19471-29-5
MF:C10H7Cl4NO4
MW:346.978879213333
CID:1387376
PubChem ID:3015062
Update Time:2025-04-20
2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid
- 19471-29-5
- DTXSID90173111
- 2,3,5,6-Tetrachloro-N-methoxy-N-methyl-terephthalamic acid
- Terephthalamic acid, 2,3,5,6-tetrachloro-N-methoxy-N-methyl-
-
- Inchi： 1S/C10H7Cl4NO4/c1-15(19-2)9(16)3-5(11)7(13)4(10(17)18)8(14)6(3)12/h1-2H3,(H,17,18)
- InChI Key： SCTIMAFCMKNFDX-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=O)O)C(=C(C=1C(N(C)OC)=O)Cl)Cl)Cl
Computed Properties
- Exact Mass: 344.91311
- Monoisotopic Mass: 344.912918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 353
- 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: 3.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.84
2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoic acid Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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