Cas no 110485-60-4 (Benzenedicarboxylicacid, tetrachloro-, monoethyl ester (9CI))
110485-60-4 structure
Product Name:Benzenedicarboxylicacid, tetrachloro-, monoethyl ester (9CI)
CAS No:110485-60-4
MF:C10H6Cl4O4
MW:331.964239597321
CID:221334
PubChem ID:184217
Update Time:2025-04-19
Benzenedicarboxylicacid, tetrachloro-, monoethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenedicarboxylicacid, tetrachloro-, monoethyl ester (9CI)
- 2,3,4,5-tetrachloro-6-ethoxycarbonylbenzoic acid
- NSC8892
- 110485-60-4
- 1-Ethyl 3,4,5,6-tetrachloro-1,2-benzenedicarboxylate
- DTXSID001032082
- Benzenedicarboxylic acid, tetrachloro-, monoethyl ester
- NSC-8892
- 602-21-1
- SCHEMBL5336522
- 1, 3,4,5,6-tetrachloro-, monoethyl ester
-
- Inchi： 1S/C10H6Cl4O4/c1-2-18-10(17)4-3(9(15)16)5(11)7(13)8(14)6(4)12/h2H2,1H3,(H,15,16)
- InChI Key： FKNVSAZGGXCITA-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(C(=O)O)=C1C(=O)OCC)Cl)Cl)Cl
Computed Properties
- Exact Mass: 328.89435
- Monoisotopic Mass: 329.902019g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 338
- 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: 4.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 66.43
Benzenedicarboxylicacid, tetrachloro-, monoethyl ester (9CI) Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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