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Home > Boronic Acids > 1255945-85-7
1255945-85-7 | Benzeneacetic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1255945-85-7 Catalog No: AG000NWZ MDL No:MFCD18383451
Product Description
Catalog Number:
AG000NWZ
Chemical Name:
Benzeneacetic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1255945-85-7
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
MDL Number:
MFCD18383451
IUPAC Name:
2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
InChI:
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-7-9(8-12(17)18)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,18)
InChI Key:
DYFNQNVMHCQXDI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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