Cas no 163978-51-6 (Benzenepropanoic acid,3,5-difluoro-, ethyl ester)
163978-51-6 structure
Product Name:Benzenepropanoic acid,3,5-difluoro-, ethyl ester
CAS No:163978-51-6
MF:C11H12F2O2
MW:214.208590507507
CID:110396
PubChem ID:15209345
Update Time:2025-04-18
Benzenepropanoic acid,3,5-difluoro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,3,5-difluoro-, ethyl ester
- 3-(3,5-difluorophenyl) propionic acid ethyl ester
- 3-(3,5-difluorophenyl)-propionic acid ethyl ester
- 3-(3,5-difluoro-phenyl)propionic acid ethyl ester
- AG-E-13850
- AGN-PC-00466W
- CTK4D1703
- ethyl 3-(3,5-difluorophenyl)propionate
- KB-232880
- SureCN7857817
- 3-(3,5-DIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER
- DTXSID70570048
- 3-(3,5-difluorophenyl)Propanoic acid ethyl ester
- SCHEMBL7857817
- 3-(3,5-difluorophenyl)propionic ethyl ester
- AKOS015149662
- RJPFVVQBZAJMKV-UHFFFAOYSA-N
- 163978-51-6
- ETHYL 3-(3,5-DIFLUOROPHENYL)PROPANOATE
-
- Inchi： 1S/C11H12F2O2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3
- InChI Key： RJPFVVQBZAJMKV-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)CCC(=O)OCC)F
Computed Properties
- Exact Mass: 214.08056
- Monoisotopic Mass: 214.08053595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 199
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.166
- Boiling Point: 238.8°C at 760 mmHg
- Flash Point: 95.5°C
- Refractive Index: 1.472
- PSA: 26.3
Benzenepropanoic acid,3,5-difluoro-, ethyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
163978-51-6 (Benzenepropanoic acid,3,5-difluoro-, ethyl ester) Related Products
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