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

4-Chloro-2-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096340-23-5
Catalog Number:
AG01EHNY
Molecular Formula:
C19H29BClNO2
Molecular Weight:
349.7031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHNY
Chemical Name:
4-Chloro-2-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096340-23-5
Molecular Formula:
C19H29BClNO2
Molecular Weight:
349.7031
MDL Number:
MFCD20441915
IUPAC Name:
N-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
InChI:
InChI=1S/C19H29BClNO2/c1-18(2)19(3,4)24-20(23-18)17-11-10-15(21)12-14(17)13-22-16-8-6-5-7-9-16/h10-12,16,22H,5-9,13H2,1-4H3
InChI Key:
YAYRNAJXYNYNAW-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1CNC1CCCCC1)Cl
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.198g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.706g/mol
Monoisotopic Mass:
349.198g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties