chempirical

2-Bromo-1-methoxy-4-nitrobenzene

C7H6BrNO3CAS 5197-28-4232.03 g/mol

Open in Covalent MOL file
ON+OO−Br
Aryl halideEtherNitro

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
Melting point
108 °C
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
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
5197-28-4
SMILES
COc1ccc([N+](=O)[O-])cc1Br
InChIKey
JMUDXQVNBZCQRF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzene, 2-bromo-1-methoxy-4-nitro-
  • Anisole, 2-bromo-4-nitro-
  • 2-Bromo-4-nitroanisole
  • 3-Bromo-4-methoxynitrobenzene
  • 4-Nitro-2-bromoanisole
  • 1-Bromo-2-methoxy-5-nitrobenzene
  • NSC 143545
  • 2-Methoxy-5-nitrobromobenzene
  • 3-Bromo-4-methoxy-1-nitrobenzene

Work with 2-Bromo-1-methoxy-4-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-Bromo-2-methoxy-4-nitrobenzene77337-82-777 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2,4-Dinitroanisole119-27-767 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-965 % similar 2-Methoxy-5-nitroaniline99-59-265 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-663 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-063 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-163 % 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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