Benzene, 1-(bromomethyl)-3-nitro-


Chemical Name: Benzene, 1-(bromomethyl)-3-nitro-
CAS Number: 3958-57-4
Product Number: AG003JTA(AGN-PC-0JLQSB)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320

Identification/Properties


Properties
MP:
58-59 °C(lit.)
BP:
300.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6120 (estimate)
Computed Properties
Molecular Weight:
216.034g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
214.958g/mol
Monoisotopic Mass:
214.958g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
146
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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