Home Other Building Blocks 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

CAS No.:
2096997-05-4
Catalog Number:
AG01EHG1
Molecular Formula:
C21H27BN2O4
Molecular Weight:
382.2611
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$300
- +
250mg
96%
In Stock USA
United States
$600
- +
1g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG01EHG1
Chemical Name:
1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096997-05-4
Molecular Formula:
C21H27BN2O4
Molecular Weight:
382.2611
MDL Number:
MFCD20231480
IUPAC Name:
1-(4-methoxy-2-methylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C21H27BN2O4/c1-14-12-17(26-6)10-11-18(14)24-19(25)23-16-9-7-8-15(13-16)22-27-20(2,3)21(4,5)28-22/h7-13H,1-6H3,(H2,23,24,25)
InChI Key:
NKGHZLWEDRHUDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.206g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
382.267g/mol
Monoisotopic Mass:
382.206g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties