Home Boronic acids 4-Fluoro-2-(N-propylaminomethyl)phenylboronic acid pinacol ester, HCl

4-Fluoro-2-(N-propylaminomethyl)phenylboronic acid pinacol ester, HCl

CAS No.:
2096330-19-5
Catalog Number:
AG01EHQG
Molecular Formula:
C16H26BClFNO2
Molecular Weight:
329.6455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG01EHQG
Chemical Name:
4-Fluoro-2-(N-propylaminomethyl)phenylboronic acid pinacol ester, HCl
CAS Number:
2096330-19-5
Molecular Formula:
C16H26BClFNO2
Molecular Weight:
329.6455
MDL Number:
MFCD20529517
IUPAC Name:
N-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C16H25BFNO2.ClH/c1-6-9-19-11-12-10-13(18)7-8-14(12)17-20-15(2,3)16(4,5)21-17;/h7-8,10,19H,6,9,11H2,1-5H3;1H
InChI Key:
DXEMVQUDSPDBLB-UHFFFAOYSA-N
SMILES:
CCCNCc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C.Cl
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.173g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.647g/mol
Monoisotopic Mass:
329.173g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties