1,4-Dinitronaphthalene

C₁₀H₆N₂O₄CAS 6921-26-2218.17 g/mol

Open in Covalent MOL file

Properties

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

Identifiers

CAS number

6921-26-2

SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChIKey

GQBQDMFMXMUHAA-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Naphthalene, 1,4-dinitro-
1,4-Dinitro-naphthalene
Naphthalene,4-dinitro-

Work with 1,4-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

4-Nitro-1-naphthol605-62-974 % similar 1-Nitronaphthalene86-57-769 % similar 1,2-Dinitrobenzene528-29-068 % similar Martius yellow605-69-660 % similar 4-Nitroquinoline 1-oxide56-57-558 % similar 5-Nitroacenaphthene602-87-958 % similar 2-Nitro-1-naphthalenol607-24-958 % similar 1-Nitropyrene5522-43-057 % similar

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

Same formula

1,8-Dinitronaphthalene602-38-0 1,5-Dinitronaphthalene605-71-0

Elsewhere

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