1-Bromo-3-methoxy-2-nitrobenzene

C7H6BrNO3CAS 500298-30-6232.03 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
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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
500298-30-6
SMILES
COC1=C(C(=CC=C1)Br)[N+](=O)[O-]
InChIKey
ORSPVBUIPTYLLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Bromo-2-nitroanisole

Work with 1-Bromo-3-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-Methoxy-3-methyl-2-nitrobenzene5345-42-666 % similar 2-Fluoro-6-methoxynitrobenzene641-49-664 % similar 2-Bromo-3-nitroanisole67853-37-662 % similar 3-Methoxy-2-nitrobenzaldehyde53055-05-361 % similar 3-Bromo-2-nitrotoluene52414-97-860 % similar 3-Bromo-2-nitroaniline7138-15-060 % similar 1-Bromo-2-methoxy-3-nitro-benzene98775-19-059 % similar 3-Methoxy-2-nitro benzonitrile142596-50-759 % 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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