C1=CC(=CC=C1[N+](=O)[O-])I
CAS: 636-98-6
Name: 1-iodo-4-nitrobenzene
SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

Molecular Processing

Molecular formula
C6H4INO2
Molecular weight
249.01
Exact mass
248.9287
XLogP
2.2
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.81

Supplementary Information

InChIKey: SCCCFNJTCDSLCY-UHFFFAOYSA-N
Synonyme
1-Iodo-4-nitrobenzene4-IODONITROBENZENEBenzene, 1-iodo-4-nitro-NSC 9794EINECS 211-272-7AI3-08878DTXSID7060914pIodonitrobenzenepNitroiodobenzene4Iodonitrobenzene4NitroiodobenzenepNitrophenyl iodideBenzene, 1iodo4nitroRefChem:76091DTXCID1044019211-272-7InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4SCCCFNJTCDSLCY-UHFFFAOYSA-N636-98-6p-Iodonitrobenzenep-Nitroiodobenzene4-Nitroiodobenzenep-Nitrophenyl iodide4-iodo-1-nitrobenzene1-iodo-4-nitro-benzene4-nitrophenyl iodideMFCD000072994-Iodonitrobenzene-13C6NSC-97944-iodo-nitrobenzene
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