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

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

CAS No.:
2096336-54-6
Catalog Number:
AG01EHQW
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
10g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHQW
Chemical Name:
4-Chloro-2-(isopropylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096336-54-6
Molecular Formula:
C16H25BClNO2
Molecular Weight:
309.6392
MDL Number:
MFCD20441923
IUPAC Name:
N-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-2-amine
InChI:
InChI=1S/C16H25BClNO2/c1-11(2)19-10-12-9-13(18)7-8-14(12)17-20-15(3,4)16(5,6)21-17/h7-9,11,19H,10H2,1-6H3
InChI Key:
MOTUTTWHZFEQBS-UHFFFAOYSA-N
SMILES:
CC(NCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
346  
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:
4  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties