1-Bromo-2-methoxy-4-nitrobenzene

C7H6BrNO3CAS 77337-82-7232.03 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
104 °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 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
77337-82-7
SMILES
COc1cc([N+](=O)[O-])ccc1Br
InChIKey
NTKADLOYTKVXQN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-bromo-2-methoxy-4-nitro-
  • 2-Bromo-5-nitroanisole
  • 4-Bromo-3-methoxynitrobenzene
  • NSC 405572

Work with 1-Bromo-2-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

2-Bromo-1-methoxy-4-nitrobenzene5197-28-477 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2-Bromo-5-nitroethoxybenzene423165-33-767 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-965 % similar 2-Methoxy-4-nitroaniline97-52-965 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-563 % similar 2-Methoxy-4-nitrophenol3251-56-763 % similar 2-Iodo-5-nitroanisole5458-84-463 % 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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