chempirical

5-Fluoro-2-nitroanisole

C7H6FNO3CAS 448-19-1171.13 g/mol

Open in Covalent MOL file
OFN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H6FNO3
Molar mass
171.13 g/mol
Exact mass
171.0332 Da
logP
1.74Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
448-19-1
SMILES
COC1=C(C=CC(=C1)F)[N+](=O)[O-]
InChIKey
WLKUSVNHZXUEFO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

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Work with 5-Fluoro-2-nitroanisole

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

2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-265 % similar 4-Fluoro-1,2-dinitrobenzene364-53-464 % similar 4-Bromo-2-methoxy-1-nitrobenzene103966-66-163 % similar 3-Methoxy-4-nitrophenol16292-95-863 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-863 % similar 2,4-Difluoronitrobenzene446-35-563 % similar 5-Fluoro-2-nitrobenzenamine2369-11-159 % similar

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

Same formula

4-Fluoro-2-nitroanisole445-83-0 2-Fluoro-1-methoxy-4-nitrobenzene455-93-6 2-Fluoro-6-nitroanisole484-94-6 4-Fluoro-3-nitroanisole61324-93-4 2-Fluoro-6-methoxynitrobenzene641-49-6

Elsewhere

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