chempirical

2-Bromo-3-nitroanisole

C7H6BrNO3CAS 67853-37-6232.03 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
67853-37-6
SMILES
COC1=CC=CC(=C1Br)[N+](=O)[O-]
InChIKey
KCFDURKFXBLIAY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3

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Work with 2-Bromo-3-nitroanisole

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

O-Nitroanisole91-23-668 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-165 % similar 2-Methoxy-6-nitrobenzenamine16554-45-363 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-662 % similar 2-Bromo-3-nitrotoluene41085-43-259 % similar 2-Bromo-1-chloro-3-nitrobenzene19128-48-457 % similar 2-Bromo-1,3-dimethoxybenzene16932-45-956 % similar 2-Bromo-1-fluoro-3-nitrobenzene59255-94-655 % 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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