Home Boronic acids 2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester

2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester

CAS No.:
2096329-98-3
Catalog Number:
AG01EHO4
Molecular Formula:
C17H27BFNO2
Molecular Weight:
307.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHO4
Chemical Name:
2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester
CAS Number:
2096329-98-3
Molecular Formula:
C17H27BFNO2
Molecular Weight:
307.2112
MDL Number:
MFCD18087739
IUPAC Name:
N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]butan-1-amine
InChI:
InChI=1S/C17H27BFNO2/c1-6-7-10-20-12-13-8-9-14(19)11-15(13)18-21-16(2,3)17(4,5)22-18/h8-9,11,20H,6-7,10,12H2,1-5H3
InChI Key:
GJEPQRJVLKTPFZ-UHFFFAOYSA-N
SMILES:
CCCCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.212g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.216g/mol
Monoisotopic Mass:
307.212g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties