Cas no 13201-16-6 (Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)-)
13201-16-6 structure
Product Name:Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)-
CAS No:13201-16-6
MF:C10H9Cl3O3
MW:283.535660505295
CID:96752
PubChem ID:518731
Update Time:2025-04-18
Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)-
- 2-methyl-2-(2,4,5-trichlorophenoxy)propanoic acid
- DTXSID70333812
- SCHEMBL5157805
- Alpha-(2,4,5-trichlorophenoxy)isobutyric acid
- 2,4,5-triclorophenoxy isobutyric acid
- 13201-16-6
-
- Inchi： 1S/C10H9Cl3O3/c1-10(2,9(14)15)16-8-4-6(12)5(11)3-7(8)13/h3-4H,1-2H3,(H,14,15)
- InChI Key： DKOMOJHAYIPFNS-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1OC(C(=O)O)(C)C)Cl)Cl
Computed Properties
- Exact Mass: 281.96187
- Monoisotopic Mass: 281.961727g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 270
- 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
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)- Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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