Chemical Name:4-nitro-1H-imidazole-5-carbonitrile 

CAS Number:208510-03-6

Product Number:AG002JQA(AGN-PC-005JSS)

MDL No:MFCD19218753

Molecular Formula:C4H2N4O2

Molecular Weight:138.0843

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

Signal Word:Danger

UN#:2811

Hazard Statements:H301-H311-H331

Precautionary Statements:P261-P280-P301+P310-P311

Class:6.1

Packing Group:Ⅲ