Home Nitros 3,5-Dinitrophenyl isocyanate

3,5-Dinitrophenyl isocyanate

CAS No.:
59776-60-2
Catalog Number:
AG003IPI
Molecular Formula:
C7H3N3O5
Molecular Weight:
209.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$424
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Product Description
Catalog Number:
AG003IPI
Chemical Name:
3,5-Dinitrophenyl isocyanate
CAS Number:
59776-60-2
Molecular Formula:
C7H3N3O5
Molecular Weight:
209.1158
MDL Number:
MFCD00210046
IUPAC Name:
1-isocyanato-3,5-dinitrobenzene
InChI:
InChI=1S/C7H3N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3H
InChI Key:
JZPRXQSCMBDGKP-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.117g/mol
Monoisotopic Mass:
209.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties