Benzene, 1,3-dinitro-5-(trifluoromethyl)-


Chemical Name: Benzene, 1,3-dinitro-5-(trifluoromethyl)-
CAS Number: 401-99-0
Product Number: AG0033JR(AGN-PC-0JLO85)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2O4
Molecular Weight: 236.1049

Identification/Properties


Properties
MP:
47-51 °C(lit.)
BP:
127-129 °C (9 mmHg)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
236.106g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
0
Exact Mass:
236.004g/mol
Monoisotopic Mass:
236.004g/mol
Topological Polar Surface Area:
91.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
274
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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