Home Boronic acids 4-Cyano-3-morpholinophenylboronic acid pinacol ester

4-Cyano-3-morpholinophenylboronic acid pinacol ester

CAS No.:
1488411-05-7
Catalog Number:
AG00HXNT
Molecular Formula:
C17H23BN2O3
Molecular Weight:
314.1871
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1375
- +
Product Description
Catalog Number:
AG00HXNT
Chemical Name:
4-Cyano-3-morpholinophenylboronic acid pinacol ester
CAS Number:
1488411-05-7
Molecular Formula:
C17H23BN2O3
Molecular Weight:
314.1871
MDL Number:
MFCD16038660
IUPAC Name:
2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-6-5-13(12-19)15(11-14)20-7-9-21-10-8-20/h5-6,11H,7-10H2,1-4H3
InChI Key:
DZIOXQUWUAJDAC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.18g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.192g/mol
Monoisotopic Mass:
314.18g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties