4-Methoxy-3-nitrobenzyl bromide

C8H8BrNO3CAS 61010-34-2246.06 g/mol

Open in Covalent MOL file
OBrN+OO−
Alkyl halideEtherNitro

Properties

Molecular formula
C8H8BrNO3
Molar mass
246.06 g/mol
Exact mass
244.9688 Da
logP
2.50Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
61010-34-2
SMILES
COC1=C(C=C(C=C1)CBr)[N+](=O)[O-]
InChIKey
WRNURTUGHOTMMX-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3

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Names and synonyms

1 names
  • 4-(Bromomethyl)-1-methoxy-2-nitrobenzene

Work with 4-Methoxy-3-nitrobenzyl bromide

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

4-Bromo-1-methoxy-2-nitrobenzene33696-00-363 % similar 2,4-Dinitroanisole119-27-762 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-860 % similar 4-Fluoro-2-nitroanisole445-83-060 % similar 4-Fluoro-3-nitrobenzyl bromide15017-52-459 % similar 4-Methoxy-3-nitrophenol15174-02-459 % similar 4-Methoxy-3-nitrobenzenamine577-72-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Bromoethoxy)-4-nitrobenzene13288-06-7 2-Bromo-5-nitroethoxybenzene423165-33-7

Elsewhere

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