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82039-91-6 | 4H-Imidazole, 4-diazo-5-nitro-
CAS No: 82039-91-6 Catalog No: AG004XIR MDL No:
Product Description
Catalog Number:
AG004XIR
Chemical Name:
4H-Imidazole, 4-diazo-5-nitro-
CAS Number:
82039-91-6
Molecular Formula:
C3HN5O2
Molecular Weight:
139.0723
IUPAC Name:
4-diazo-5-nitroimidazole
InChI:
InChI=1S/C3HN5O2/c4-7-2-3(8(9)10)6-1-5-2/h1H
InChI Key:
ZEPLERLTXFLMOG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1N=CN=C1[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.074g/mol
Monoisotopic Mass:
139.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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