4-Fluoro-2-methoxy-5-nitroaniline

C₇H₇FN₂O₃CAS 1075705-01-9186.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro Primary amine

Properties

Molecular formula: C₇H₇FN₂O₃
Molar mass: 186.14 g/mol
Exact mass: 186.0441 Da
logP: 1.32Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed95.3% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1075705-01-9

SMILES

COC1=CC(=C(C=C1N)[N+](=O)[O-])F

InChIKey

FYSIGSQCZXQTIH-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3

Weigh it out

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Work with 4-Fluoro-2-methoxy-5-nitroaniline

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

2,5-Dimethoxy-4-nitrobenzenamine6313-37-768 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-263 % similar 2,4-Dinitro-5-fluoroaniline367-81-762 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-061 % similar 4-Fluoro-3-nitroanisole61324-93-456 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-656 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-756 % similar 4,5-Difluoro-2-nitroaniline78056-39-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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