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

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

CAS No.:
2096996-90-4
Catalog Number:
AG01EHN9
Molecular Formula:
C20H24BClN2O4
Molecular Weight:
402.6796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$275
- +
1g
97%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG01EHN9
Chemical Name:
1-(5-Chloro-2-methoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096996-90-4
Molecular Formula:
C20H24BClN2O4
Molecular Weight:
402.6796
MDL Number:
MFCD20231473
IUPAC Name:
1-(5-chloro-2-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H24BClN2O4/c1-19(2)20(3,4)28-21(27-19)13-7-6-8-15(11-13)23-18(25)24-16-12-14(22)9-10-17(16)26-5/h6-12H,1-5H3,(H2,23,24,25)
InChI Key:
BUTHGPLEFQCRJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)Cl
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.152g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
402.682g/mol
Monoisotopic Mass:
402.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties