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

2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096334-70-0
Catalog Number:
AG01EHG0
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHG0
Chemical Name:
2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096334-70-0
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
MDL Number:
MFCD18783190
IUPAC Name:
1-[[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
InChI:
InChI=1S/C18H27BClNO2/c1-17(2)18(3,4)23-19(22-17)15-12-14(8-9-16(15)20)13-21-10-6-5-7-11-21/h8-9,12H,5-7,10-11,13H2,1-4H3
InChI Key:
RKGYUSAGRSCEAF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCCCC1
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.182g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.679g/mol
Monoisotopic Mass:
335.182g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties