chempirical

1-Bromo-2-methoxy-3-nitro-benzene

C7H6BrNO3CAS 98775-19-0232.03 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
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
98775-19-0
SMILES
COC1=C(C=CC=C1Br)[N+](=O)[O-]
InChIKey
YAYBLVOBUIXMQY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3

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Names and synonyms

1 names
  • 1-Bromo-2-methoxy-3-nitrobenzene

Work with 1-Bromo-2-methoxy-3-nitro-benzene

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-Fluoro-6-nitroanisole484-94-665 % similar 2-Bromo-3-nitroanisole67853-37-661 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-659 % similar 2-Bromo-6-nitrotoluene55289-35-558 % similar 1-Bromo-2-nitrobenzene577-19-558 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-556 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-456 % similar 1-Bromo-5-nitronaphthalene5328-76-756 % 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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