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Home > Boronic Acids > 1217501-17-1
1217501-17-1 | Boronic acid, B-[4-fluoro-3-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS No: 1217501-17-1 Catalog No: AG0015SL MDL No:MFCD13195650
Product Description
Catalog Number:
AG0015SL
Chemical Name:
Boronic acid, B-[4-fluoro-3-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS Number:
1217501-17-1
Molecular Formula:
C11H14BFO4
Molecular Weight:
240.0359
MDL Number:
MFCD13195650
IUPAC Name:
[4-fluoro-3-(oxan-2-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C11H14BFO4/c13-9-5-4-8(12(14)15)7-10(9)17-11-3-1-2-6-16-11/h4-5,7,11,14-15H,1-3,6H2
InChI Key:
VVNRFWUGZNHVBH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1OC1CCCCO1)B(O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.037g/mol
Monoisotopic Mass:
240.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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