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

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

CAS No.:
2096998-08-0
Catalog Number:
AG01EHJ4
Molecular Formula:
C19H22BN3O5
Molecular Weight:
383.2061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG01EHJ4
Chemical Name:
1-(4-Nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096998-08-0
Molecular Formula:
C19H22BN3O5
Molecular Weight:
383.2061
MDL Number:
MFCD20231472
IUPAC Name:
1-(4-nitrophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H22BN3O5/c1-18(2)19(3,4)28-20(27-18)13-6-5-7-15(12-13)22-17(24)21-14-8-10-16(11-9-14)23(25)26/h5-12H,1-4H3,(H2,21,22,24)
InChI Key:
NOVQIKAFDWZNTL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.165g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
383.211g/mol
Monoisotopic Mass:
383.165g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties