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

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

CAS No.:
2096333-97-8
Catalog Number:
AG01EHF3
Molecular Formula:
C14H21BClNO2
Molecular Weight:
281.5860
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:
AG01EHF3
Chemical Name:
4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096333-97-8
Molecular Formula:
C14H21BClNO2
Molecular Weight:
281.5860
MDL Number:
MFCD18730284
IUPAC Name:
1-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine
InChI:
InChI=1S/C14H21BClNO2/c1-13(2)14(3,4)19-15(18-13)12-7-6-11(16)8-10(12)9-17-5/h6-8,17H,9H2,1-5H3
InChI Key:
OHZKMNHCVJCOBS-UHFFFAOYSA-N
SMILES:
CNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.135g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.587g/mol
Monoisotopic Mass:
281.135g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties