Home Boronic acids [5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]boronic acid

[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]boronic acid

CAS No.:
1334327-75-1
Catalog Number:
AG01AJQB
Molecular Formula:
C11H14BFO4
Molecular Weight:
240.0359
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Product Description
Catalog Number:
AG01AJQB
Chemical Name:
[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]boronic acid
CAS Number:
1334327-75-1
Molecular Formula:
C11H14BFO4
Molecular Weight:
240.0359
MDL Number:
MFCD16204996
IUPAC Name:
[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H14BFO4/c13-9-1-2-11(10(5-9)12(14)15)17-7-8-3-4-16-6-8/h1-2,5,8,14-15H,3-4,6-7H2
InChI Key:
ISHHPIKLPAYAEH-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCC1COCC1
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:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties