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Home > Boronic Acids > 944317-66-2
944317-66-2 | methyl 2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CAS No: 944317-66-2 Catalog No: AG00II5Q MDL No:MFCD12026092
Product Description
Catalog Number:
AG00II5Q
Chemical Name:
methyl 2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CAS Number:
944317-66-2
Molecular Formula:
C15H20BFO4
Molecular Weight:
294.1263
MDL Number:
MFCD12026092
IUPAC Name:
methyl 2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)11-8-10(6-7-12(11)17)9-13(18)19-5/h6-8H,9H2,1-5H3
InChI Key:
LTWSFTBHFDGCTE-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
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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