2-Fluoro-6-methoxynitrobenzene

C₇H₆FNO₃CAS 641-49-6171.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₆FNO₃
Molar mass: 171.13 g/mol
Exact mass: 171.0332 Da
logP: 1.74Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

641-49-6

SMILES

COC1=C(C(=CC=C1)F)[N+](=O)[O-]

InChIKey

GMWOSSBFNSZKAH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Fluoro-3-methoxy-2-nitrobenzene

Work with 2-Fluoro-6-methoxynitrobenzene

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

1,3-Difluoro-2-nitrobenzene19064-24-568 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-664 % similar 1-Methoxy-3-methyl-2-nitrobenzene5345-42-664 % similar 1-Fluoro-3-methyl-2-nitrobenzene3013-27-261 % similar 3-Fluoro-2-nitrobenzenamine567-63-561 % similar 3-Methoxy-2-nitrobenzaldehyde53055-05-359 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-258 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-558 % 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 5-Fluoro-4-methyl-2-nitrophenol83341-28-0 5-Fluoro-2-methoxynicotinic acid884494-82-0

Elsewhere

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