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

C₁₅H₁₂FNO₄CAS 175136-24-0289.26 g/mol

Open in Covalent MOL file

Halogen Ketone Nitro Tertiary Amine

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

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 1-[4-[(4-Fluorophenyl)methoxy]-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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook