1,8-Dinitronaphthalene

C₁₀H₆N₂O₄CAS 602-38-0218.17 g/mol

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Properties

Molecular formula: C₁₀H₆N₂O₄
Molar mass: 218.17 g/mol
Exact mass: 218.0328 Da
Density: 1.46 g/mL
Melting point: 173 °C
logP: 2.66Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

602-38-0

SMILES

O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12

InChIKey

AVCSMMMOCOTIHF-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H

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Names and synonyms

2 names

Naphthalene, 1,8-dinitro-
NSC 6323

Work with 1,8-Dinitronaphthalene

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-Nitronaphthalene86-57-764 % similar 1-Nitropyrene5522-43-063 % similar 1,2-Dinitrobenzene528-29-063 % similar 2,6-Dinitrophenol573-56-857 % similar 2,6-Dinitrotoluene606-20-257 % similar 8-Nitroquinoline607-35-256 % similar 7-Nitroindole6960-42-556 % similar 2-Nitrochlorobenzene88-73-355 % similar

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

Same formula

1,5-Dinitronaphthalene605-71-0 1,4-Dinitronaphthalene6921-26-2

Elsewhere

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