3-nitro-5-(trifluoromethyl)benzonitrile


Chemical Name: 3-nitro-5-(trifluoromethyl)benzonitrile
CAS Number: 20566-80-7
Product Number: AG002A9F(AGN-PC-0N9JF9)
Synonyms:
MDL No: MFCD03412207
Molecular Formula: C8H3F3N2O2
Molecular Weight: 216.1168

Identification/Properties


Computed Properties
Molecular Weight:
216.119g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
216.015g/mol
Monoisotopic Mass:
216.015g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
301
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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