chempirical

4-Bromo-2-methoxy-1-nitrobenzene

C7H6BrNO3CAS 103966-66-1232.03 g/mol

Open in Covalent MOL file
OBrN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
103966-66-1
SMILES
COC1=C(C=CC(=C1)Br)[N+](=O)[O-]
InChIKey
DJKPQYBFSAJUBS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

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Names and synonyms

1 names
  • 5-Bromo-2-nitroanisole

Work with 4-Bromo-2-methoxy-1-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

3-Methoxy-4-nitrophenol16292-95-868 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-265 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-863 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar O-Nitroanisole91-23-658 % similar 3-Methoxy-4-nitrobenzoic acid5081-36-756 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-355 % similar

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

Same formula

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 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4 1-Bromo-4-methoxy-2-nitrobenzene5344-78-5 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-4 2-Hydroxy-5-nitrobenzyl bromide772-33-8

Elsewhere

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