4-Acetyl-4'-nitrodiphenyl ether

C₁₄H₁₁NO₄CAS 75919-92-5257.25 g/mol

Open in Covalent MOL file

Ether Ketone Nitro

Properties

Molecular formula: C₁₄H₁₁NO₄
Molar mass: 257.25 g/mol
Exact mass: 257.0688 Da
logP: 3.59Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

75919-92-5

SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

IRWXEFXORSDYQA-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO4/c1-10(16)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)15(17)18/h2-9H,1H3

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Names and synonyms

1 names

1-[4-(4-Nitrophenoxy)phenyl]ethanone

Work with 4-Acetyl-4'-nitrodiphenyl ether

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

P-Nitroacetophenone100-19-681 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-366 % similar 4-Acetylphenyl ether2615-11-466 % similar 4′-Phenoxyacetophenone5031-78-758 % similar 1-Nitro-4-phenoxybenzene620-88-258 % similar 1-(3,5-Dinitrophenyl)ethanone14401-75-357 % similar 4-Acetyl-4'-methoxydiphenyl ether54916-28-857 % similar 4-Nitrophenyl acetate830-03-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Nitrobenzyloxy)benzaldehyde67565-48-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook