(NITROMETHYL)BENZENE


Chemical Name: (NITROMETHYL)BENZENE
CAS Number: 622-42-4
Product Number: AG019DDR(AGN-PC-0WALFA)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2
Molecular Weight: 137.1360

Identification/Properties


Properties
MP:
80.7 °C(Solv: ethanol (64-17-5))
BP:
226.0°C
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.5323 (estimate)
Computed Properties
Molecular Weight:
137.138g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
137.048g/mol
Monoisotopic Mass:
137.048g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
113
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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