Home Nitros N,N′-Bis(4-nitrophenyl)urea compd. with 4,6-dimethyl-2-pyrimidinol (1:1)

N,N′-Bis(4-nitrophenyl)urea compd. with 4,6-dimethyl-2-pyrimidinol (1:1)

CAS No.:
330-95-0
Catalog Number:
AG0039L6
Molecular Formula:
C19H18N6O6
Molecular Weight:
426.3828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$48
- +
5g
98%(HPLC)
In Stock USA
United States
$86
- +
Product Description
Catalog Number:
AG0039L6
Chemical Name:
N,N′-Bis(4-nitrophenyl)urea compd. with 4,6-dimethyl-2-pyrimidinol (1:1)
CAS Number:
330-95-0
Molecular Formula:
C19H18N6O6
Molecular Weight:
426.3828
MDL Number:
MFCD00867204
IUPAC Name:
1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
InChI Key:
UKHWDRMMMYWSFL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-].Cc1cc(C)[nH]c(=O)n1
EC Number:
206-359-1
UNII:
11P9NUA12U
NSC Number:
7171
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.129g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
426.389g/mol
Monoisotopic Mass:
426.129g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
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Properties