Benzonitrile, 3-amino-4-nitro-


Chemical Name: Benzonitrile, 3-amino-4-nitro-
CAS Number: 99512-10-4
Product Number: AG005S24(AGN-PC-00A6ME)
Synonyms:
MDL No:
Molecular Formula: C7H5N3O2
Molecular Weight: 163.1335

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
163.136g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
163.038g/mol
Monoisotopic Mass:
163.038g/mol
Topological Polar Surface Area:
95.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
227
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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