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116975-16-7 | Benzenamine, 2,4-dinitro-N-nitroso-
CAS No: 116975-16-7 Catalog No: AG000DFO MDL No:
Product Description
Catalog Number:
AG000DFO
Chemical Name:
Benzenamine, 2,4-dinitro-N-nitroso-
CAS Number:
116975-16-7
Molecular Formula:
C6H4N4O5
Molecular Weight:
212.1198
IUPAC Name:
N-(2,4-dinitrophenyl)nitrous amide
InChI:
InChI=1S/C6H4N4O5/c11-8-7-5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,(H,7,11)
InChI Key:
YERNCYBPSJENKN-UHFFFAOYSA-N
SMILES:
O=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.121g/mol
Monoisotopic Mass:
212.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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