Home Boronic acids 2-Chloro-5-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester

2-Chloro-5-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096341-29-4
Catalog Number:
AG01EHHW
Molecular Formula:
C17H27BClNO2
Molecular Weight:
323.6658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$300
- +
5g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHHW
Chemical Name:
2-Chloro-5-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096341-29-4
Molecular Formula:
C17H27BClNO2
Molecular Weight:
323.6658
MDL Number:
MFCD18783188
IUPAC Name:
N-[[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-N-ethylethanamine
InChI:
InChI=1S/C17H27BClNO2/c1-7-20(8-2)12-13-9-10-15(19)14(11-13)18-21-16(3,4)17(5,6)22-18/h9-11H,7-8,12H2,1-6H3
InChI Key:
KUBJOVZXWCTVBP-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl)CC
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.182g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.668g/mol
Monoisotopic Mass:
323.182g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties