Home Boronic acids 3-Chloro-2-(N-cyclopropylaminomethyl)phenylboronic acid, pinacol ester

3-Chloro-2-(N-cyclopropylaminomethyl)phenylboronic acid, pinacol ester

CAS No.:
2096334-08-4
Catalog Number:
AG01EHLJ
Molecular Formula:
C16H23BClNO2
Molecular Weight:
307.6233
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHLJ
Chemical Name:
3-Chloro-2-(N-cyclopropylaminomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096334-08-4
Molecular Formula:
C16H23BClNO2
Molecular Weight:
307.6233
MDL Number:
MFCD20441922
IUPAC Name:
N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine
InChI:
InChI=1S/C16H23BClNO2/c1-15(2)16(3,4)21-17(20-15)13-6-5-7-14(18)12(13)10-19-11-8-9-11/h5-7,11,19H,8-10H2,1-4H3
InChI Key:
XWHDJXWDRBDIMN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1CNC1CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.151g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.625g/mol
Monoisotopic Mass:
307.151g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties