chempirical

4-Bromo-1-methoxy-2-nitrobenzene

C7H6BrNO3CAS 33696-00-3232.03 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
Melting point
85–87 °C
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
33696-00-3
SMILES
COc1ccc(Br)cc1[N+](=O)[O-]
InChIKey
ORBHQHXVVMZIDP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

7 names
  • Benzene, 4-bromo-1-methoxy-2-nitro-
  • Anisole, 4-bromo-2-nitro-
  • 1-Bromo-3-nitro-4-methoxybenzene
  • 4-Bromo-2-nitroanisole
  • 3-Bromo-6-methoxynitrobenzene
  • 4-Bromo-1-(methyloxy)-2-nitrobenzene
  • 1-Bromo-4-methoxy-3-nitrobenzene

Work with 4-Bromo-1-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

2,4-Dinitroanisole119-27-767 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-865 % similar 4-Methoxy-3-nitrobenzenamine577-72-063 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-463 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-961 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-760 % 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-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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