Home Boronic acids 6-(3-Ethylureido)pyridine-3-boronic acid pinacol ester

6-(3-Ethylureido)pyridine-3-boronic acid pinacol ester

CAS No.:
1031431-96-5
Catalog Number:
AG00H9YR
Molecular Formula:
C14H22BN3O3
Molecular Weight:
291.1538
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Product Description
Catalog Number:
AG00H9YR
Chemical Name:
6-(3-Ethylureido)pyridine-3-boronic acid pinacol ester
CAS Number:
1031431-96-5
Molecular Formula:
C14H22BN3O3
Molecular Weight:
291.1538
MDL Number:
MFCD13191361
IUPAC Name:
1-ethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]urea
InChI:
InChI=1S/C14H22BN3O3/c1-6-16-12(19)18-11-8-7-10(9-17-11)15-20-13(2,3)14(4,5)21-15/h7-9H,6H2,1-5H3,(H2,16,17,18,19)
InChI Key:
ONCZIOGAMMXGRM-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.175g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.158g/mol
Monoisotopic Mass:
291.175g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties