Benzene, 1-nitro-3,5-bis(trifluoromethyl)-


Chemical Name: Benzene, 1-nitro-3,5-bis(trifluoromethyl)-
CAS Number: 328-75-6
Product Number: AG007ILY(AGN-PC-0JL7WT)
Synonyms:
MDL No:
Molecular Formula: C8H3F6NO2
Molecular Weight: 259.1053

Identification/Properties


Computed Properties
Molecular Weight:
259.107g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
0
Exact Mass:
259.007g/mol
Monoisotopic Mass:
259.007g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
272
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:
Warning
UN#:
N/A
Hazard Statements:
H227-H315-H319
Precautionary Statements:
P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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