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

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

CAS No.:
874297-80-0
Catalog Number:
AG004FYM
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG004FYM
Chemical Name:
4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester
CAS Number:
874297-80-0
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
MDL Number:
MFCD09027290
IUPAC Name:
1-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-9-11-15(12-10-13)21-16(22)20-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H2,20,21,22)
InChI Key:
XIRYAWDMLJRGHR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CCCC1
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.211g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.235g/mol
Monoisotopic Mass:
330.211g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties