Home Boronic acids 5-Chloro-2-(dimethylaminomethyl)phenylboronic acid, pinacol ester, HCl

5-Chloro-2-(dimethylaminomethyl)phenylboronic acid, pinacol ester, HCl

CAS No.:
2096332-71-5
Catalog Number:
AG01EHL9
Molecular Formula:
C15H24BCl2NO2
Molecular Weight:
332.0736
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG01EHL9
Chemical Name:
5-Chloro-2-(dimethylaminomethyl)phenylboronic acid, pinacol ester, HCl
CAS Number:
2096332-71-5
Molecular Formula:
C15H24BCl2NO2
Molecular Weight:
332.0736
MDL Number:
MFCD20491449
IUPAC Name:
1-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine;hydrochloride
InChI:
InChI=1S/C15H23BClNO2.ClH/c1-14(2)15(3,4)20-16(19-14)13-9-12(17)8-7-11(13)10-18(5)6;/h7-9H,10H2,1-6H3;1H
InChI Key:
BYYKGHYGFPHXRI-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Cl)C.Cl
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.128g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.072g/mol
Monoisotopic Mass:
331.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties