1-Bromo-4-methoxy-2-nitrobenzene

C7H6BrNO3CAS 5344-78-5232.03 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
32 °C
Boiling point
153–154 °C (at 13 Torr)
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5344-78-5
SMILES
COc1ccc(Br)c([N+](=O)[O-])c1
InChIKey
KCOBIBRGPCFIGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-bromo-4-methoxy-2-nitro-
  • Anisole, 4-bromo-3-nitro-
  • 4-Methoxy-2-nitrobromobenzene
  • 4-Bromo-3-nitroanisole
  • 2-Bromo-5-methoxynitrobenzene
  • 2-Bromo-5-methoxy-1-nitrobenzene
  • NSC 1161
  • 1-Bromo-2-nitro-4-methoxybenzene

Work with 1-Bromo-4-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

1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-565 % similar 4-Methoxy-2-nitroaniline96-96-865 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-363 % similar 4-Methoxy-2-nitrophenol1568-70-363 % similar 4-Iodo-3-nitroanisole58755-70-763 % similar 4-Fluoro-3-nitroanisole61324-93-463 % similar 5-Methoxy-2-nitrobenzenamine16133-49-662 % 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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