Home Boronic acids 3-Chloro-2-(4-methylpiperazinomethyl)phenylboronic acid, pinacol ester

3-Chloro-2-(4-methylpiperazinomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096340-35-9
Catalog Number:
AG01EHJI
Molecular Formula:
C18H28BClN2O2
Molecular Weight:
350.6911
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG01EHJI
Chemical Name:
3-Chloro-2-(4-methylpiperazinomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096340-35-9
Molecular Formula:
C18H28BClN2O2
Molecular Weight:
350.6911
MDL Number:
MFCD20441909
IUPAC Name:
1-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine
InChI:
InChI=1S/C18H28BClN2O2/c1-17(2)18(3,4)24-19(23-17)15-7-6-8-16(20)14(15)13-22-11-9-21(5)10-12-22/h6-8H,9-13H2,1-5H3
InChI Key:
ZFOGHCPIVFYEAS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.193g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.694g/mol
Monoisotopic Mass:
350.193g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties