2-Acetyl-5-bromo-6-methoxynaphthalene

C₁₃H₁₁BrO₂CAS 84167-74-8279.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₃H₁₁BrO₂
Molar mass: 279.13 g/mol
Exact mass: 277.9942 Da
logP: 3.81Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
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

84167-74-8

SMILES

CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br

InChIKey

KDDYYAXVVDTNND-UHFFFAOYSA-N

InChI

InChI=1S/C13H11BrO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3

Weigh it out

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Names and synonyms

1 names

1-(5-Bromo-6-methoxynaphthalen-2-yl)ethan-1-one

Work with 2-Acetyl-5-bromo-6-methoxynaphthalene

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-Bromo-4-methoxyphenyl)ethanone35310-75-961 % similar 3,4-Dimethoxyacetophenone1131-62-059 % similar 2-Acetyl-6-methoxynaphthalene3900-45-655 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-453 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-953 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-953 % similar 1-Bromo-2-methoxynaphthalene3401-47-651 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-951 % similar

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

Elsewhere

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