Benzene, 4-bromo-1-methyl-2-nitro-


Chemical Name: Benzene, 4-bromo-1-methyl-2-nitro-
CAS Number: 60956-26-5
Product Number: AG003KXH(AGN-PC-0JLOIO)
Synonyms:
MDL No: MFCD00041243
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320

Identification/Properties


Properties
MP:
45 °C
BP:
256.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6120 (estimate)
Solubility:
water: insoluble(lit.)
Computed Properties
Molecular Weight:
216.034g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
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:
157
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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