Benzonitrile, 2-methyl-4-nitro-


Chemical Name: Benzonitrile, 2-methyl-4-nitro-
CAS Number: 89001-53-6
Product Number: AG0046A3(AGN-PC-0L9KN9)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties


Properties
MP:
100-103 °C(lit.)
BP:
329.603 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
225
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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