Cas no 701263-96-9 (Benzaldehyde,3,4-diethoxy-2-fluoro-)
701263-96-9 structure
Product Name:Benzaldehyde,3,4-diethoxy-2-fluoro-
CAS No:701263-96-9
MF:C11H13FO3
MW:212.217527151108
CID:557296
PubChem ID:21905066
Update Time:2025-04-19
Benzaldehyde,3,4-diethoxy-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3,4-diethoxy-2-fluoro-
- 3,4-diethoxy-2-fluorobenzaldehyde
- Benzaldehyde, 3,4-diethoxy-2-fluoro- (9CI)
- SCHEMBL5042606
- DTXSID60619834
- 701263-96-9
-
- Inchi： 1S/C11H13FO3/c1-3-14-9-6-5-8(7-13)10(12)11(9)15-4-2/h5-7H,3-4H2,1-2H3
- InChI Key： UNPXDYUOEGPRSE-UHFFFAOYSA-N
- SMILES： FC1=C(C=O)C=CC(=C1OCC)OCC
Computed Properties
- Exact Mass: 212.08487243g/mol
- Monoisotopic Mass: 212.08487243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 198
- 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: 2.2
- Topological Polar Surface Area: 35.5?2
Benzaldehyde,3,4-diethoxy-2-fluoro- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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