1-Bromo-3,4,5-trifluoro-2-nitrobenzene


Chemical Name: 1-Bromo-3,4,5-trifluoro-2-nitrobenzene
CAS Number: 1416373-06-2
Product Number: AG001GQV(AGN-PC-0WD05I)
Synonyms:
MDL No:
Molecular Formula: C6HBrF3NO2
Molecular Weight: 255.9768

Identification/Properties


Computed Properties
Molecular Weight:
255.978g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
254.914g/mol
Monoisotopic Mass:
254.914g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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