4-Fluoro-2-nitroanisole

C7H6FNO3CAS 445-83-0171.13 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

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
445-83-0
SMILES
COC1=C(C=C(C=C1)F)[N+](=O)[O-]
InChIKey
FWLPYISRFBKEKV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Weigh it out

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Work with 4-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-Dinitroanisole119-27-769 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-469 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-867 % similar 4-Methoxy-3-nitrophenol15174-02-465 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-365 % similar 4-Methoxy-3-nitrobenzenamine577-72-065 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-465 % similar 2-Nitro-4-trifluoromethylanisole394-25-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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-4-methyl-2-nitrophenol83341-28-0 5-Fluoro-2-methoxynicotinic acid884494-82-0

Elsewhere

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