chempirical

4-Fluoro-1-iodo-2-nitrobenzene

C6H3FINO2CAS 364-77-2267.00 g/mol

Open in Covalent MOL file
ON+O−FI
Aryl halideNitro

Properties

Molecular formula
C6H3FINO2
Molar mass
267.00 g/mol
Exact mass
266.9193 Da
Boiling point
126–128 °C (at 9.8 Torr)
logP
2.34Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
364-77-2
SMILES
O=[N+]([O-])c1cc(F)ccc1I
InChIKey
ANPFMDLUEWNKIM-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

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Names and synonyms

3 names
  • Benzene, 4-fluoro-1-iodo-2-nitro-
  • 5-Fluoro-2-iodonitrobenzene
  • 2-Iodo-5-fluoronitrobenzene

Work with 4-Fluoro-1-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

4-Fluoro-1,2-dinitrobenzene364-53-467 % similar 2,4-Dinitroiodobenzene709-49-966 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-664 % similar 2,5-Difluoronitrobenzene364-74-963 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-862 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-362 % similar 2,4-Difluoronitrobenzene446-35-561 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-559 % similar

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

Same formula

1-Fluoro-4-iodo-2-nitrobenzene364-75-0

Elsewhere

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