4-Bromo-2-methoxy-1-nitrobenzene

C₇H₆BrNO₃CAS 103966-66-1232.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 2.37Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103966-66-1

SMILES

COC1=C(C=CC(=C1)Br)[N+](=O)[O-]

InChIKey

DJKPQYBFSAJUBS-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-nitroanisole

Work with 4-Bromo-2-methoxy-1-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

3-Methoxy-4-nitrophenol16292-95-868 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-265 % similar 5-Fluoro-2-nitroanisole448-19-163 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-863 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-759 % similar 2,4-Dibromonitrobenzene51686-78-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 1-Bromo-3-methoxy-2-nitrobenzene500298-30-6

Elsewhere

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