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

3-(3-Butylureido)phenylboronic acid, pinacol ester

CAS No.:
874299-07-7
Catalog Number:
AG004MGN
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG004MGN
Chemical Name:
3-(3-Butylureido)phenylboronic acid, pinacol ester
CAS Number:
874299-07-7
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD06659931
IUPAC Name:
1-butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C17H27BN2O3/c1-6-7-11-19-15(21)20-14-10-8-9-13(12-14)18-22-16(2,3)17(4,5)23-18/h8-10,12H,6-7,11H2,1-5H3,(H2,19,20,21)
InChI Key:
DYBDTMCEAHKZHI-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.211g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.224g/mol
Monoisotopic Mass:
318.211g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties