2-Bromo-5-nitroethoxybenzene

C₈H₈BrNO₃CAS 423165-33-7246.06 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₈H₈BrNO₃
Molar mass: 246.06 g/mol
Exact mass: 244.9688 Da
logP: 2.76Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

423165-33-7

SMILES

CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br

InChIKey

ZALXYXWTUXLPBJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3

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Names and synonyms

1 names

1-Bromo-2-ethoxy-4-nitrobenzene

Work with 2-Bromo-5-nitroethoxybenzene

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-Bromo-2-methoxy-4-nitrobenzene77337-82-767 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-761 % similar 2-Ethoxy-4-nitrobenzoic acid2486-66-059 % similar P-Nitrophenetole100-29-856 % similar N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-556 % similar 4'-Nitrobenzo-18-crown 6-Ether53408-96-156 % similar 2,3,5,6,8,9,11,12-Octahydro-15-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin60835-69-056 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-455 % similar

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

Same formula

1-(2-Bromoethoxy)-4-nitrobenzene13288-06-7 4-Methoxy-3-nitrobenzyl bromide61010-34-2

Elsewhere

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