1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone

C₁₅H₁₃NO₄CAS 14347-05-8271.27 g/mol

Open in Covalent MOL file

Ketone Nitro Tertiary Amine

Properties

Molecular formula: C₁₅H₁₃NO₄
Molar mass: 271.27 g/mol
Exact mass: 271.0845 Da
Melting point: 134–136 °C
logP: 3.38Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

14347-05-8

SMILES

CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

InChIKey

OWKGFSOHSDMRJL-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO4/c1-11(17)13-7-8-15(14(9-13)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

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Names and synonyms

6 names

Ethanone, 1-[3-nitro-4-(phenylmethoxy)phenyl]-
Acetophenone, 4′-(benzyloxy)-3′-nitro-
4′-Benzyloxy-3′-nitroacetophenone
1-(4-Benzyloxy-3-nitrophenyl)ethanone
1-Acetyl-4-benzyloxy-3-nitrobenzene
1-[4-(Benzyloxy)-3-nitrophenyl]ethan-1-one

Work with 1-[3-Nitro-4-(phenylmethoxy)phenyl]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

Same formula

2-[3-Nitro-4-(phenylmethoxy)phenyl]oxirane51582-41-3

Elsewhere

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