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

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

CAS No.:
2096329-99-4
Catalog Number:
AG01EJRW
Molecular Formula:
C19H29BClNO2
Molecular Weight:
349.7031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EJRW
Chemical Name:
3-Chloro-4-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096329-99-4
Molecular Formula:
C19H29BClNO2
Molecular Weight:
349.7031
MDL Number:
MFCD18837626
IUPAC Name:
N-[[2-chloro-4-(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)15-11-10-14(17(21)12-15)13-22-16-8-6-5-7-9-16/h10-12,16,22H,5-9,13H2,1-4H3
InChI Key:
ADGFSGLODXLSPT-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1CNC1CCCCC1)B1OC(C(O1)(C)C)(C)C
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