Cas no 67829-90-7 (Acetic acid, (2,4-dichlorophenoxy)-, 4-chlorophenyl ester)
67829-90-7 structure
Product Name:Acetic acid, (2,4-dichlorophenoxy)-, 4-chlorophenyl ester
CAS No:67829-90-7
MF:C14H9Cl3O3
MW:331.578461408615
CID:394049
PubChem ID:693007
Update Time:2025-04-19
Acetic acid, (2,4-dichlorophenoxy)-, 4-chlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (2,4-dichlorophenoxy)-, 4-chlorophenyl ester
- (4-chlorophenyl) 2-(2,4-dichlorophenoxy)acetate
- AKOS003434777
- CBDivE_015644
- DTXSID00351165
- 67829-90-7
- ST004375
-
- Inchi： 1S/C14H9Cl3O3/c15-9-1-4-11(5-2-9)20-14(18)8-19-13-6-3-10(16)7-12(13)17/h1-7H,8H2
- InChI Key： UZCUAGMMZQMCQD-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OCC(=O)OC1C=CC(=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 329.96187
- Monoisotopic Mass: 329.961727g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 319
- 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: 5.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Acetic acid, (2,4-dichlorophenoxy)-, 4-chlorophenyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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