Home Boronic acids 4-Chloro-2-(pyrrolidinomethyl)phenylboronic acid, pinacol ester

4-Chloro-2-(pyrrolidinomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096341-79-4
Catalog Number:
AG01EHNF
Molecular Formula:
C17H25BClNO2
Molecular Weight:
321.6499
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG01EHNF
Chemical Name:
4-Chloro-2-(pyrrolidinomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096341-79-4
Molecular Formula:
C17H25BClNO2
Molecular Weight:
321.6499
MDL Number:
MFCD20491445
IUPAC Name:
1-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
InChI:
InChI=1S/C17H25BClNO2/c1-16(2)17(3,4)22-18(21-16)15-8-7-14(19)11-13(15)12-20-9-5-6-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3
InChI Key:
NPQAISVFOGPJDE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)CN1CCCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.167g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.652g/mol
Monoisotopic Mass:
321.167g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties