1-Bromo-3-methoxy-2-nitrobenzene

C₇H₆BrNO₃CAS 500298-30-6232.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 2.37Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
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

500298-30-6

SMILES

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

InChIKey

ORSPVBUIPTYLLO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3

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Names and synonyms

1 names

3-Bromo-2-nitroanisole

Work with 1-Bromo-3-methoxy-2-nitrobenzene

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-Methoxy-3-methyl-2-nitrobenzene5345-42-666 % similar 2-Fluoro-6-methoxynitrobenzene641-49-664 % similar 3-Methoxy-2-nitrobenzaldehyde53055-05-361 % similar 3-Bromo-2-nitrotoluene52414-97-860 % similar 3-Methoxy-2-nitro benzonitrile142596-50-759 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-458 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-758 % similar O-Nitroanisole91-23-657 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 2-Bromo-4-methyl-6-nitrophenol20039-91-2 4-Bromo-2-nitrobenzyl alcohol22996-19-6 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0

Elsewhere

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