4-nitro-1H-imidazole-5-carbonitrile


Chemical Name: 4-nitro-1H-imidazole-5-carbonitrile
CAS Number: 208510-03-6
Product Number: AG002JQA(AGN-PC-005JSS)
Synonyms:
MDL No: MFCD19218753
Molecular Formula: C4H2N4O2
Molecular Weight: 138.0843

Identification/Properties


Computed Properties
Molecular Weight:
138.086g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
138.018g/mol
Monoisotopic Mass:
138.018g/mol
Topological Polar Surface Area:
98.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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