O=[N+]([O-])c1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F
CAS: 765962-71-8
Name: 2,3,5-trifluoro-N-(2-fluoro-4-iodophenyl)-6-nitroaniline
SMILES: O=[N+]([O-])c1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F

Molecular Processing

Molecular formula
C12H5F4IN2O2
Molecular weight
412.08
Exact mass
411.9332
XLogP
4.5
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
75.37

Supplementary Information

InChIKey: VMEFGWLJZYYWJN-UHFFFAOYSA-N
Synonyme
765962-71-82,3,5-trifluoro-N-(2-fluoro-4-iodophenyl)-6-nitroaniline2,3,5-trifluoro-N-(2-fluoro-4-iodophenyl)-6-nitrobenzenamineBenzenamine, 2,3,5-trifluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-SCHEMBL345946DTXSID80726377VMEFGWLJZYYWJN-UHFFFAOYSA-N2-Fluoro-N-(2,3,5-trifluoro-6-nitrophenyl)-4-iodobenzenamine2-fluoro-N-(2,3,5-trifluoro-6-nitrophenyl)-4-iodobenzeneamine(2-fluoro-4-iodo-phenyl)-(2,3,5-trifluoro-6-nitro-phenyl)-amine2-Fluoro-4-iodo-phenyl-(2,3,5-trifluoro-6-nitro-phenyl)-amine
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