Cas no 5253-44-1 (Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester)
5253-44-1 structure
Product Name:Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester
CAS No:5253-44-1
MF:C14H10Cl2O3
MW:297.133402347565
CID:359398
PubChem ID:675642
Update Time:2025-04-19
Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester
- phenyl 2-(2,4-dichlorophenoxy)acetate
- SCHEMBL1496077
- DTXSID60350210
- phenyl (2,4-dichlorophenoxy)acetate
- AKOS000490973
- CBMicro_048001
- AG-670/04465048
- 5253-44-1
- BIM-0048064.P001
-
- Inchi： 1S/C14H10Cl2O3/c15-10-6-7-13(12(16)8-10)18-9-14(17)19-11-4-2-1-3-5-11/h1-8H,9H2
- InChI Key： VJJAGGWCTRGANO-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OCC(=O)OC1C=CC=CC=1)Cl
Computed Properties
- Exact Mass: 296.0008
- Monoisotopic Mass: 296.0006996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 292
- 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: 4.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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