Home Boronic acids 3-Chloro-4-(cyclopentylaminomethyl)phenylboronic acid, pinacol ester

3-Chloro-4-(cyclopentylaminomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096341-87-4
Catalog Number:
AG01EIU1
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG01EIU1
Chemical Name:
3-Chloro-4-(cyclopentylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096341-87-4
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
MDL Number:
MFCD19237215
IUPAC Name:
N-[[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
InChI:
InChI=1S/C18H27BClNO2/c1-17(2)18(3,4)23-19(22-17)14-10-9-13(16(20)11-14)12-21-15-7-5-6-8-15/h9-11,15,21H,5-8,12H2,1-4H3
InChI Key:
LMUCKXMENJYEKG-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1CNC1CCCC1)B1OC(C(O1)(C)C)(C)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
335.679g/mol
Monoisotopic Mass:
335.182g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties