Home Other Building Blocks 1-Isobutyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

1-Isobutyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

CAS No.:
874299-08-8
Catalog Number:
AG00IEKP
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
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Product Description
Catalog Number:
AG00IEKP
Chemical Name:
1-Isobutyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874299-08-8
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD22494380
IUPAC Name:
1-(2-methylpropyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C17H27BN2O3/c1-12(2)11-19-15(21)20-14-9-7-8-13(10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H2,19,20,21)
InChI Key:
NZUAGZUVXVGWLY-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
410  
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:
4  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties