Home Boronic acids 1-BOC-6-cyanoindole-3-boronic acid, pinacol ester

1-BOC-6-cyanoindole-3-boronic acid, pinacol ester

CAS No.:
1218790-23-8
Catalog Number:
AG001694
Molecular Formula:
C20H25BN2O4
Molecular Weight:
368.2345
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$363
- +
5g
97%
In Stock USA
United States
$1088
- +
10g
97%
In Stock USA
United States
$1813
- +
Product Description
Catalog Number:
AG001694
Chemical Name:
1-BOC-6-cyanoindole-3-boronic acid, pinacol ester
CAS Number:
1218790-23-8
Molecular Formula:
C20H25BN2O4
Molecular Weight:
368.2345
MDL Number:
MFCD22460485
IUPAC Name:
tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H25BN2O4/c1-18(2,3)25-17(24)23-12-15(14-9-8-13(11-22)10-16(14)23)21-26-19(4,5)20(6,7)27-21/h8-10,12H,1-7H3
InChI Key:
YDIXOIZBVRXBQH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
632  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.191g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.24g/mol
Monoisotopic Mass:
368.191g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties