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Home > Boronic Acids > 1198615-86-9
1198615-86-9 | Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1198615-86-9 Catalog No: AG01FFXH MDL No:
Product Description
Catalog Number:
AG01FFXH
Chemical Name:
Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1198615-86-9
Molecular Formula:
C15H20BFO4
Molecular Weight:
294.1263
IUPAC Name:
ethyl 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BFO4/c1-6-19-13(18)10-8-7-9-11(12(10)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI Key:
OMMPUXRIZFPVNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.129g/mol
Monoisotopic Mass:
294.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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