1-Bromo-3-methoxy-5-nitrobenzene

C7H6BrNO3CAS 16618-67-0232.03 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
188 °C
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 4 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
16618-67-0
SMILES
COc1cc(Br)cc([N+](=O)[O-])c1
InChIKey
MEQKSFQEPDRNEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

5 names
  • Benzene, 1-bromo-3-methoxy-5-nitro-
  • Anisole, 3-bromo-5-nitro-
  • 3-Bromo-5-nitroanisole
  • 3-Methoxy-5-nitrophenyl bromide
  • 3-Bromo-5-methoxynitrobenzene

Work with 1-Bromo-3-methoxy-5-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-3,5-dinitrobenzene5327-44-674 % similar 1-Bromo-3,5-dinitrobenzene18242-39-265 % similar 3,5-Dibromonitro benzene6311-60-065 % similar 3-Methoxy-5-nitrobenzenamine586-10-762 % similar 3-Methoxy-5-nitrobenzotrifluoride328-79-057 % similar 3-Nitroanisole555-03-357 % similar Methyl 3-bromo-5-nitrobenzoate6307-87-556 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-256 % 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 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 1-Bromo-3-methoxy-2-nitrobenzene500298-30-6

Elsewhere

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