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Home > Boronic Acids > 1628442-55-6
1628442-55-6 | 2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1628442-55-6 Catalog No: AG01BFV4 MDL No:MFCD22419269
Product Description
Catalog Number:
AG01BFV4
Chemical Name:
2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1628442-55-6
Molecular Formula:
C13H16BF3O3
Molecular Weight:
288.0705
MDL Number:
MFCD22419269
IUPAC Name:
2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)9-6-5-8(7-10(9)15)18-11(16)17/h5-7,11H,1-4H3
InChI Key:
LLJRSXMGPKHUQX-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.073g/mol
Monoisotopic Mass:
288.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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