Home Boronic acids [5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid

[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid

CAS No.:
1313760-30-3
Catalog Number:
AG01A10Q
Molecular Formula:
C12H11BFNO3
Molecular Weight:
247.0300
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Product Description
Catalog Number:
AG01A10Q
Chemical Name:
[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid
CAS Number:
1313760-30-3
Molecular Formula:
C12H11BFNO3
Molecular Weight:
247.0300
MDL Number:
MFCD11540676
IUPAC Name:
[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H11BFNO3/c14-10-1-2-12(11(7-10)13(16)17)18-8-9-3-5-15-6-4-9/h1-7,16-17H,8H2
InChI Key:
WBYYLCBGOWSLDF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCc1ccncc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.032g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties