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Home > Boronic Acids > 1648906-43-7
1648906-43-7 | 2-(4-Fluorophenyl)carbonylethylboronic acid pinacol ester
CAS No: 1648906-43-7 Catalog No: AG00HZ42 MDL No:MFCD28166398
Product Description
Catalog Number:
AG00HZ42
Chemical Name:
2-(4-Fluorophenyl)carbonylethylboronic acid pinacol ester
CAS Number:
1648906-43-7
Molecular Formula:
C15H20BFO3
Molecular Weight:
278.1269
MDL Number:
MFCD28166398
IUPAC Name:
1-(4-fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
InChI:
InChI=1S/C15H20BFO3/c1-14(2)15(3,4)20-16(19-14)10-9-13(18)11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3
InChI Key:
QWXZULNAXHCLDK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)CCB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.13g/mol
Monoisotopic Mass:
278.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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