chempirical

3-Fluoro-4-iodonitrobenzene

C6H3FINO2CAS 2996-30-7267.00 g/mol

Open in Covalent MOL file
N+OO−FI
Aryl halideNitro

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2996-30-7
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)I
InChIKey
QLAFWGDKYKHVKC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Weigh it out

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Work with 3-Fluoro-4-iodonitrobenzene

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

3,4-Difluoronitrobenzene369-34-668 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-265 % similar 2,4-Dinitroiodobenzene709-49-964 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-562 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-260 % similar 2-Fluoro-4-nitrobenzenamine369-35-760 % similar 2-Fluoro-4-nitrophenol403-19-060 % similar

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

Same formula

1-Fluoro-4-iodo-2-nitrobenzene364-75-0 4-Fluoro-1-iodo-2-nitrobenzene364-77-2 1-Fluoro-3-iodo-5-nitrobenzene3819-88-3

Elsewhere

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