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

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

CAS No.:
2096998-09-1
Catalog Number:
AG01EHCV
Molecular Formula:
C20H24BN3O6
Molecular Weight:
413.2321
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:
AG01EHCV
Chemical Name:
1-(2-Methoxy-4-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096998-09-1
Molecular Formula:
C20H24BN3O6
Molecular Weight:
413.2321
MDL Number:
MFCD20231484
IUPAC Name:
1-(2-methoxy-4-nitrophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H24BN3O6/c1-19(2)20(3,4)30-21(29-19)13-7-6-8-14(11-13)22-18(25)23-16-10-9-15(24(26)27)12-17(16)28-5/h6-12H,1-5H3,(H2,22,23,25)
InChI Key:
KUUJXUKRZQTSMM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.176g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
413.237g/mol
Monoisotopic Mass:
413.176g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties