Cas no 900174-85-8 (Boronic acid, (5-ethoxy-2-fluoro-4-methoxyphenyl)-)
900174-85-8 structure
Product Name:Boronic acid, (5-ethoxy-2-fluoro-4-methoxyphenyl)-
CAS No:900174-85-8
MF:C9H12BFO4
MW:213.998586654663
CID:796368
PubChem ID:59838039
Update Time:2025-04-19
Boronic acid, (5-ethoxy-2-fluoro-4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, (5-ethoxy-2-fluoro-4-methoxyphenyl)-
- (5-ethoxy-2-fluoro-4-methoxyphenyl)boronic acid
- 5-Ethoxy-2-fluoro4-methoxyphenylboronic acid
- SCHEMBL2914756
- 900174-85-8
- 5-Ethoxy-2-fluoro-4-methoxyphenylboronic acid
- DTXSID60733180
- starbld0019213
- RDTLWQYJDLALCP-UHFFFAOYSA-N
-
- Inchi： 1S/C9H12BFO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3
- InChI Key： RDTLWQYJDLALCP-UHFFFAOYSA-N
- SMILES： FC1=CC(=C(C=C1B(O)O)OCC)OC
Computed Properties
- Exact Mass: 214.0812672g/mol
- Monoisotopic Mass: 214.0812672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 193
- 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
- Topological Polar Surface Area: 58.9?2
Boronic acid, (5-ethoxy-2-fluoro-4-methoxyphenyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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