1,3-Dibromo-4,6-dinitrobenzene

C₆H₂Br₂N₂O₄CAS 24239-82-5325.90 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Br₂N₂O₄
Molar mass: 325.90 g/mol
Exact mass: 323.8381 Da
logP: 3.03Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

24239-82-5

SMILES

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

InChIKey

HYQUWYMJSAPGDY-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

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Names and synonyms

1 names

1,5-Dibromo-2,4-dinitrobenzene

Work with 1,3-Dibromo-4,6-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

Similar compounds

1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-566 % similar 4-Bromo-3-nitrobenzenamine53324-38-263 % similar 2,5-Dibromonitrobenzene3460-18-262 % similar 2,4-Dibromonitrobenzene51686-78-362 % similar 1-Bromo-2,4-dinitrobenzene584-48-562 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-360 % similar 2,4-Dibromo-5-nitropyridine4487-57-460 % similar 1-Bromo-2-nitrobenzene577-19-559 % similar

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

Elsewhere

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