Cas no 20397-59-5 (2-Propenoic acid, 2-fluoro-3-phenyl-, ethyl ester, (2Z)-)
20397-59-5 structure
Product Name:2-Propenoic acid, 2-fluoro-3-phenyl-, ethyl ester, (2Z)-
CAS No:20397-59-5
MF:C11H11FO2
MW:194.202246904373
CID:1397532
PubChem ID:5375360
Update Time:2025-04-20
2-Propenoic acid, 2-fluoro-3-phenyl-, ethyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-fluoro-3-phenyl-, ethyl ester, (2Z)-
- Ethyl (2Z)-2-fluoro-3-phenyl-2-propenoate #
- (E)-2-Fluoro-3-phenylpropenoic acid, ethyl ester
- SCHEMBL11309467
- 350-99-2
- Ethyl 2-fluoro-3-phenylacrylate
- YLDYYTGJNSYKME-NTMALXAHSA-N
- Ethyl (Z)-2-fluoro-3-phenylacrylate
- 20397-59-5
-
- Inchi: 1S/C11H11FO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
- InChI Key: YLDYYTGJNSYKME-NTMALXAHSA-N
- SMILES: F/C(/C(=O)OCC)=C\C1C=CC=CC=1
Computed Properties
- Exact Mass: 194.07433
- Monoisotopic Mass: 194.07430775g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 2-fluoro-3-phenyl-, ethyl ester, (2Z)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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