Cas no 203916-66-9 (Benzoic acid,2,4,5-trifluoro-3-iodo-, ethyl ester)
203916-66-9 structure
Product Name:Benzoic acid,2,4,5-trifluoro-3-iodo-, ethyl ester
CAS No:203916-66-9
MF:C9H6F3IO2
MW:330.042425632477
CID:241273
PubChem ID:18364217
Update Time:2025-04-19
Benzoic acid,2,4,5-trifluoro-3-iodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,4,5-trifluoro-3-iodo-, ethyl ester
- ETHYL 2,4,5-TRIFLUORO-3-IODOBENZOATE
- ETHYL 2,4,5-TRIFLUORO-3-IODOBENZOATE,0.93
- SCHEMBL7589051
- 203916-66-9
- DTXSID10593135
-
- Inchi： 1S/C9H6F3IO2/c1-2-15-9(14)4-3-5(10)7(12)8(13)6(4)11/h3H,2H2,1H3
- InChI Key： MVLZYHDOLNPPNJ-UHFFFAOYSA-N
- SMILES： IC1=C(C(=CC(C(=O)OCC)=C1F)F)F
Computed Properties
- Exact Mass: 329.93600
- Monoisotopic Mass: 329.93646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 239
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 2.88520
Benzoic acid,2,4,5-trifluoro-3-iodo-, ethyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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