Home Boronic acids 4-(3-Benzylureido)phenylboronic acid, pinacol ester

4-(3-Benzylureido)phenylboronic acid, pinacol ester

CAS No.:
874290-98-9
Catalog Number:
AG0036CI
Molecular Formula:
C20H25BN2O3
Molecular Weight:
352.2351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$148
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0036CI
Chemical Name:
4-(3-Benzylureido)phenylboronic acid, pinacol ester
CAS Number:
874290-98-9
Molecular Formula:
C20H25BN2O3
Molecular Weight:
352.2351
MDL Number:
MFCD08689513
IUPAC Name:
1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H25BN2O3/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)23-18(24)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,22,23,24)
InChI Key:
CEICAHXVTFTLSN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccccc1
Properties
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.196g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.241g/mol
Monoisotopic Mass:
352.196g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties