1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene

C₈H₈FNO₃CAS 314298-13-0185.15 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₈H₈FNO₃
Molar mass: 185.15 g/mol
Exact mass: 185.0488 Da
logP: 2.05Crippen estimate
Polar surface area: 52.4 Å²
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

314298-13-0

SMILES

CC1=CC(=C(C=C1F)OC)[N+](=O)[O-]

InChIKey

JQNHPTUQNTUAJC-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3

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Names and synonyms

1 names

Benzene, 1-fluoro-5-methoxy-2-methyl-4-nitro- (9ci)

Work with 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene

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

1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-462 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-961 % similar 4,5-Dimethoxy-2-nitrotoluene7509-11-761 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-660 % similar 5-Fluoro-4-methyl-2-nitrophenol83341-28-060 % similar 4-Fluoro-2-nitroanisole445-83-057 % similar 5-Fluoro-2-nitroanisole448-19-156 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-256 % similar

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

Same formula

4-Amino-2-fluoro-5-methoxybenzoic acid1001346-91-3

Elsewhere

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