2-Bromo-5-nitroethoxybenzene

C8H8BrNO3CAS 423165-33-7246.06 g/mol

Open in Covalent MOL file
ON+OO−Br
Aryl halideEtherNitro

Properties

Molecular formula
C8H8BrNO3
Molar mass
246.06 g/mol
Exact mass
244.9688 Da
logP
2.76Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
423165-33-7
SMILES
CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br
InChIKey
ZALXYXWTUXLPBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 1-Bromo-2-ethoxy-4-nitrobenzene

Work with 2-Bromo-5-nitroethoxybenzene

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-Bromo-2-methoxy-4-nitrobenzene77337-82-767 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-761 % similar 2-Ethoxy-4-nitrobenzoic acid2486-66-059 % similar P-Nitrophenetole100-29-856 % similar N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-556 % similar 4'-Nitrobenzo-18-crown 6-Ether53408-96-156 % similar 2,3,5,6,8,9,11,12-Octahydro-15-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin60835-69-056 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Bromoethoxy)-4-nitrobenzene13288-06-7 4-Methoxy-3-nitrobenzyl bromide61010-34-2

Elsewhere

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