1-(2-Bromoethoxy)-4-nitrobenzene

C₈H₈BrNO₃CAS 13288-06-7246.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₈H₈BrNO₃
Molar mass: 246.06 g/mol
Exact mass: 244.9688 Da
logP: 2.37Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13288-06-7

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCBr

InChIKey

YQWCBDNNEZHPMA-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2

Weigh it out

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

Work with 1-(2-Bromoethoxy)-4-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

2-(4-Nitrophenoxy)ethanol16365-27-866 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-066 % similar P-Nitrophenetole100-29-865 % similar 1-Butoxy-4-nitrobenzene7244-78-262 % similar 4-Nitrophenethyl bromide5339-26-459 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 4-Nitrophenoxyacetonitrile33901-46-155 % similar 2-((4-Nitrophenoxy)methyl)oxirane5255-75-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-nitroethoxybenzene423165-33-7 4-Methoxy-3-nitrobenzyl bromide61010-34-2

Elsewhere

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