Cas no 69178-44-5 (2-(2,3,4-trichlorophenyl)acetic Acid)
69178-44-5 structure
Product Name:2-(2,3,4-trichlorophenyl)acetic Acid
CAS No:69178-44-5
MF:C8H5Cl3O2
MW:239.48309969902
CID:1736508
PubChem ID:15775088
Update Time:2025-04-21
2-(2,3,4-trichlorophenyl)acetic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,3,4-trichlorophenyl)acetic Acid
- AT35184
- XOVZSZLZMZBHHV-UHFFFAOYSA-N
- 29277-00-7
- 2-(2,4,6-Trichlorophenyl)acetic acid
- SCHEMBL5191843
- Z1269113504
- Benzeneacetic acid, 2,4,6-trichloro-
- EN300-1072602
- 2-(2,4,6-Trichlorophenyl)aceticacid
- 69178-44-5
- (2,4,6-trichlorophenyl)acetic acid
- DTXSID50988884
- AKOS027343601
-
- Inchi: 1S/C8H5Cl3O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)
- InChI Key: XOVZSZLZMZBHHV-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=C(C=1CC(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 237.93565
- Monoisotopic Mass: 237.935512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
2-(2,3,4-trichlorophenyl)acetic Acid Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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