2-Acetyl-5-nitrobenzo[B]furan

C₁₀H₇NO₄CAS 23136-39-2205.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₇NO₄
Molar mass: 205.17 g/mol
Exact mass: 205.0375 Da
logP: 2.54Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 0 / 4
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

23136-39-2

SMILES

CC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChIKey

RMXFQPLULZFJMH-UHFFFAOYSA-N

InChI

InChI=1S/C10H7NO4/c1-6(12)10-5-7-4-8(11(13)14)2-3-9(7)15-10/h2-5H,1H3

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Names and synonyms

1 names

1-(5-Nitro-1-benzofuran-2-YL)ethanone

Work with 2-Acetyl-5-nitrobenzo[B]furan

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

5-Nitrobenzofuran-2-carboxylic acid10242-12-367 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-863 % similar 2-Acetylbenzofuran1646-26-054 % similar 6-Nitrocoumarin2725-81-752 % similar P-Nitroacetophenone100-19-651 % similar 2-Butyl-5-nitrobenzofuran133238-87-651 % similar 3′-Nitroacetophenone121-89-150 % similar 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-650 % similar

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

Same formula

Indole-2,5-dicarboxylic acid117140-77-9 N-Phthaloylglycine4702-13-0 Xanthurenic acid59-00-7 1,3-Dioxo-2-isoindolineaceticacid6296-53-3

Elsewhere

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