Home Other Building Blocks 1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

CAS No.:
2096997-11-2
Catalog Number:
AG01EHLB
Molecular Formula:
C21H27BN2O5
Molecular Weight:
398.2605
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$125
- +
1g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EHLB
Chemical Name:
1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096997-11-2
Molecular Formula:
C21H27BN2O5
Molecular Weight:
398.2605
MDL Number:
MFCD20231485
IUPAC Name:
1-(2,5-dimethoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C21H27BN2O5/c1-20(2)21(3,4)29-22(28-20)14-8-7-9-15(12-14)23-19(25)24-17-13-16(26-5)10-11-18(17)27-6/h7-13H,1-6H3,(H2,23,24,25)
InChI Key:
VLBGHTBVSAUJSG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC
Properties
Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.201g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.266g/mol
Monoisotopic Mass:
398.201g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties