Home Boronic acids 3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester

3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096341-81-8
Catalog Number:
AG01EHL2
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
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:
AG01EHL2
Chemical Name:
3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096341-81-8
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
MDL Number:
MFCD20441918
IUPAC Name:
N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
InChI:
InChI=1S/C16H25BClNO2/c1-6-10-19-11-12-13(8-7-9-14(12)18)17-20-15(2,3)16(4,5)21-17/h7-9,19H,6,10-11H2,1-5H3
InChI Key:
YLCXIXCEJAWAKY-UHFFFAOYSA-N
SMILES:
CCCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.167g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.641g/mol
Monoisotopic Mass:
309.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties