Cas no 668478-84-0 (Benzaldehyde, 5-ethoxy-2-fluoro-4-(phenylmethoxy)-)
668478-84-0 structure
Product Name:Benzaldehyde, 5-ethoxy-2-fluoro-4-(phenylmethoxy)-
CAS No:668478-84-0
MF:C16H15FO3
MW:274.286908388138
CID:1713127
PubChem ID:22647411
Update Time:2025-04-21
Benzaldehyde, 5-ethoxy-2-fluoro-4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 5-ethoxy-2-fluoro-4-(phenylmethoxy)-
- SCHEMBL3370688
- 5-Ethoxy-2-fluoro-4-(phenylmethoxy)benzaldehyde
- 668478-84-0
- DTXSID601244073
-
- Inchi： 1S/C16H15FO3/c1-2-19-15-8-13(10-18)14(17)9-16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
- InChI Key： IQJADGYCKSGJOE-UHFFFAOYSA-N
- SMILES： FC1C(C=O)=CC(=C(C=1)OCC1C=CC=CC=1)OCC
Computed Properties
- Exact Mass: 274.10055
- Monoisotopic Mass: 274.10052250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 291
- 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: 3.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 5-ethoxy-2-fluoro-4-(phenylmethoxy)- Related Literature
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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