1-Fluoro-4-iodo-2-nitrobenzene

C₆H₃FINO₂CAS 364-75-0267.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃FINO₂
Molar mass: 267.00 g/mol
Exact mass: 266.9193 Da
logP: 2.34Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

364-75-0

SMILES

O=[N+]([O-])c1cc(I)ccc1F

InChIKey

KUJTZQXHTBKAMO-UHFFFAOYSA-N

InChI

InChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

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Names and synonyms

2 names

Benzene, 1-fluoro-4-iodo-2-nitro-
2-Fluoro-5-iodonitrobenzene

Work with 1-Fluoro-4-iodo-2-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Difluoronitrobenzene364-74-966 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Iodo-2-nitrobenzenamine20691-72-960 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar 4-Fluoro-3-nitroaniline364-76-160 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-458 % similar 1,1′-Sulfonylbis[4-fluoro-3-nitrobenzene]312-30-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluoro-1-iodo-2-nitrobenzene364-77-2

Elsewhere

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