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140657-62-1 | 1H-Imidazole, 4,5-dihydro-1-nitroso-2-(trinitromethyl)-
CAS No: 140657-62-1 Catalog No: AG006ZJ4 MDL No:
Product Description
Catalog Number:
AG006ZJ4
Chemical Name:
1H-Imidazole, 4,5-dihydro-1-nitroso-2-(trinitromethyl)-
CAS Number:
140657-62-1
Molecular Formula:
C4H4N6O7
Molecular Weight:
248.1106
IUPAC Name:
1-nitroso-2-(trinitromethyl)-4,5-dihydroimidazole
InChI:
InChI=1S/C4H4N6O7/c11-6-7-2-1-5-3(7)4(8(12)13,9(14)15)10(16)17/h1-2H2
InChI Key:
XYTDVAGQPSGTMC-UHFFFAOYSA-N
SMILES:
O=NN1CCN=C1C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.111g/mol
Monoisotopic Mass:
248.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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