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

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

CAS No.:
2096331-24-5
Catalog Number:
AG01EHGE
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
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:
AG01EHGE
Chemical Name:
4-Chloro-2-(N-propylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096331-24-5
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
MDL Number:
MFCD20441916
IUPAC Name:
N-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
InChI:
InChI=1S/C16H25BClNO2/c1-6-9-19-11-12-10-13(18)7-8-14(12)17-20-15(2,3)16(4,5)21-17/h7-8,10,19H,6,9,11H2,1-5H3
InChI Key:
ZOESGHFBNMLJIH-UHFFFAOYSA-N
SMILES:
CCCNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.167g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.641g/mol
Monoisotopic Mass:
309.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties