Cas no 86483-52-5 (Benzenepropanoic acid,2,4-dichloro-a-(ethoxymethylene)-5-fluoro-b-oxo-, ethyl ester)
86483-52-5 structure
Product Name:Benzenepropanoic acid,2,4-dichloro-a-(ethoxymethylene)-5-fluoro-b-oxo-, ethyl ester
CAS No:86483-52-5
MF:C14H13Cl2FO4
MW:335.155026197433
CID:708492
PubChem ID:13326821
Update Time:2025-04-19
Benzenepropanoic acid,2,4-dichloro-a-(ethoxymethylene)-5-fluoro-b-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,2,4-dichloro-a-(ethoxymethylene)-5-fluoro-b-oxo-, ethyl ester
- (Z)-2-(2,4-DICHLORO-5-FLUORO-BENZOYL)-3-ETHOXY-ACRYLIC ACID ETHYL ESTER
- ethyl 2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate
- SCHEMBL9684756
- ethyl (2E)-2-[(E)-2,4-dichloro-5-fluorobenzoyl]-3-ethoxyprop-2-enoate
- 86483-52-5
-
- Inchi： 1S/C14H13Cl2FO4/c1-3-20-7-9(14(19)21-4-2)13(18)8-5-12(17)11(16)6-10(8)15/h5-7H,3-4H2,1-2H3/b9-7+
- InChI Key： LYOAKSDOTROZEF-VQHVLOKHSA-N
- SMILES： ClC1C=C(C(=CC=1C(/C(=C\OCC)/C(=O)OCC)=O)F)Cl
Computed Properties
- Exact Mass: 334.017
- Monoisotopic Mass: 334.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 414
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 4
Benzenepropanoic acid,2,4-dichloro-a-(ethoxymethylene)-5-fluoro-b-oxo-, ethyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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