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Home > Boronic Acids > 851334-92-4
851334-92-4 | Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS No: 851334-92-4 Catalog No: AG008GE5 MDL No:MFCD19237206
Product Description
Catalog Number:
AG008GE5
Chemical Name:
Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS Number:
851334-92-4
Molecular Formula:
C15H20BFO4
Molecular Weight:
294.1263
MDL Number:
MFCD19237206
IUPAC Name:
ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BFO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI Key:
ZXSGWPHDXQZIAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)F)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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