chempirical

5-Fluoro-4-methyl-2-nitrophenol

C7H6FNO3CAS 83341-28-0171.13 g/mol

Open in Covalent MOL file
FOHN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C7H6FNO3
Molar mass
171.13 g/mol
Exact mass
171.0332 Da
logP
1.75Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
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
83341-28-0
SMILES
CC1=CC(=C(C=C1F)O)[N+](=O)[O-]
InChIKey
SYRLVBSEEMWFMS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO3/c1-4-2-6(9(11)12)7(10)3-5(4)8/h2-3,10H,1H3

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Work with 5-Fluoro-4-methyl-2-nitrophenol

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-Difluoro-6-nitrophenol55346-97-973 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-663 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-060 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-959 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-058 % similar 4,6-Dinitroresorcinol616-74-058 % similar 2,4-Difluoro-5-nitrophenol113512-57-557 % similar

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

Same formula

4-Fluoro-2-nitroanisole445-83-0 5-Fluoro-2-nitroanisole448-19-1 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 5-Fluoro-2-methoxynicotinic acid884494-82-0

Elsewhere

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