Benzonitrile, 4-formyl-3-nitro-


Chemical Name: Benzonitrile, 4-formyl-3-nitro-
CAS Number: 90178-78-2
Product Number: AG00H5VG(AGN-PC-00LMVC)
Synonyms:
MDL No:
Molecular Formula: C8H4N2O3
Molecular Weight: 176.1290

Identification/Properties


Properties
BP:
354.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.131g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
176.022g/mol
Monoisotopic Mass:
176.022g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
262
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


NMR Spectrum


Other Analytical Data


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