C1=C(C(=CC(=C1F)F)F)[N+](=O)[O-]
CAS: 2105-61-5
Name: 1,2,4-trifluoro-5-nitrobenzene
SMILES: C1=C(C(=CC(=C1F)F)F)[N+](=O)[O-]

Molecular Processing

Molecular formula
C6H2F3NO2
Molecular weight
177.08
Exact mass
177.0038
XLogP
2.01
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
32.97

Supplementary Information

InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N
Synonyms
1,2,4-Trifluoro-5-nitrobenzene2105-61-52,4,5-TrifluoronitrobenzeneBenzene, 1,2,4-trifluoro-5-nitro-5-Nitro-1,2,4-trifluorobenzene2,4,5-Trifluoro-1-nitrobenzene3ZU9GWD6VVNSC-10248ROJNMGYMBLNTPK-UHFFFAOYSA-DTXSID30175270EINECS 218-281-5NSC 10248RefChem:71552DTXCID3097761218-281-5InChI=1/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2HROJNMGYMBLNTPK-UHFFFAOYSA-NMFCD000070511,2,4-trifluoro-5-nitro-benzene2,4,5-trifluoro-nitrobenzene1,2,5-trifluoro-4-nitrobenzeneNSC10248UNII-3ZU9GWD6VVSCHEMBL58080SCHEMBL1477402,4,5-tri-fluoronitrobenzene,2,4-trifluoro-5-nitrobenzeneSCHEMBL294038792,4,5-Trifluoronitrobenzene, 99%SBB063044
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