Benzonitrile, 4-(2-nitroethenyl)-, (E)-


Chemical Name: Benzonitrile, 4-(2-nitroethenyl)-, (E)-
CAS Number: 5153-73-1
Product Number: AG003CZ6(AGN-PC-0SARNB)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O2
Molecular Weight: 174.1561

Identification/Properties


Properties
MP:
187 °C
BP:
353.5 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
174.159g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
174.043g/mol
Monoisotopic Mass:
174.043g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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