4-Methoxy-3-nitrobenzyl bromide

C₈H₈BrNO₃CAS 61010-34-2246.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₈H₈BrNO₃
Molar mass: 246.06 g/mol
Exact mass: 244.9688 Da
logP: 2.50Crippen 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

61010-34-2

SMILES

COC1=C(C=C(C=C1)CBr)[N+](=O)[O-]

InChIKey

WRNURTUGHOTMMX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3

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Names and synonyms

1 names

4-(Bromomethyl)-1-methoxy-2-nitrobenzene

Work with 4-Methoxy-3-nitrobenzyl bromide

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

4-Bromo-1-methoxy-2-nitrobenzene33696-00-363 % similar 2,4-Dinitroanisole119-27-762 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-860 % similar 4-Fluoro-2-nitroanisole445-83-060 % similar 4-Fluoro-3-nitrobenzyl bromide15017-52-459 % similar 4-Methoxy-3-nitrophenol15174-02-459 % similar 4-Methoxy-3-nitrobenzenamine577-72-059 % similar

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

Same formula

1-(2-Bromoethoxy)-4-nitrobenzene13288-06-7 2-Bromo-5-nitroethoxybenzene423165-33-7

Elsewhere

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