1-Bromo-3,5-dinitrobenzene

C₆H₃BrN₂O₄CAS 18242-39-2247.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃BrN₂O₄
Molar mass: 247.00 g/mol
Exact mass: 245.9276 Da
Melting point: 77 °C
logP: 2.27Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

18242-39-2

SMILES

O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1

InChIKey

OLDMYNWXIGPOCI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-bromo-3,5-dinitro-
5-Bromo-1,3-dinitrobenzene
3,5-Dinitrobromobenzene

Work with 1-Bromo-3,5-dinitrobenzene

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

Same formula

1-Bromo-2,4-dinitrobenzene584-48-5 4-Bromo-1,2-dinitrobenzene610-38-8

Elsewhere

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