1-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethanone

C₁₅H₁₂FNO₄CAS 175136-24-0289.26 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone Nitro

Properties

Molecular formula: C₁₅H₁₂FNO₄
Molar mass: 289.26 g/mol
Exact mass: 289.0750 Da
logP: 3.52Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

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

175136-24-0

SMILES

CC(=O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1

InChIKey

XMYCVHFGYFJOJX-UHFFFAOYSA-N

InChI

InChI=1S/C15H12FNO4/c1-10(18)12-4-7-15(14(8-12)17(19)20)21-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3

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Names and synonyms

2 names

1-[4-[(4-Fluorophenyl)methoxy]-3-nitrophenyl]ethanone
Ethanone, 1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]-

Work with 1-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethanone

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-Nitro-4-(phenylmethoxy)phenyl]ethanone14347-05-878 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-960 % similar 4'-Fluoro-3'-nitroacetophenone400-93-156 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-056 % similar 2-Bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone43229-01-255 % similar 1-(4-Bromo-3-nitrophenyl)ethanone18640-58-951 % similar 3'-Nitro-4'-methylacetophenone5333-27-751 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-651 % similar

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

Elsewhere

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