Home Boronic acids 2-Fluorobenzylboronic acid pinacol ester

2-Fluorobenzylboronic acid pinacol ester

CAS No.:
517920-60-4
Catalog Number:
AG003ERN
Molecular Formula:
C13H18BFO2
Molecular Weight:
236.0902
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Product Description
Catalog Number:
AG003ERN
Chemical Name:
2-Fluorobenzylboronic acid pinacol ester
CAS Number:
517920-60-4
Molecular Formula:
C13H18BFO2
Molecular Weight:
236.0902
MDL Number:
MFCD10698520
IUPAC Name:
2-[(2-fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)9-10-7-5-6-8-11(10)15/h5-8H,9H2,1-4H3
InChI Key:
ABOCFFXSSUAFRP-UHFFFAOYSA-N
SMILES:
Fc1ccccc1CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.093g/mol
Monoisotopic Mass:
236.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties