1,3,6,8-Tetranitronaphthalene

C₁₀H₄N₄O₈CAS 28995-89-3308.16 g/mol

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Properties

Molecular formula: C₁₀H₄N₄O₈
Molar mass: 308.16 g/mol
Exact mass: 308.0029 Da
Melting point: 207 °C
logP: 2.47Crippen estimate
Polar surface area: 172.6 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 4

Identifiers

CAS number

28995-89-3

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1

InChIKey

BFMBQYIQQLBGJA-UHFFFAOYSA-N

InChI

InChI=1S/C10H4N4O8/c15-11(16)6-1-5-2-7(12(17)18)4-9(14(21)22)10(5)8(3-6)13(19)20/h1-4H

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Names and synonyms

1 names

Naphthalene, 1,3,6,8-tetranitro-

Work with 1,3,6,8-Tetranitronaphthalene

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

Tnt118-96-761 % similar Hexanitrodiphenylamine131-73-761 % similar 2,4,6-Trinitroaniline489-98-561 % similar Picryl chloride88-88-061 % similar Picric acid88-89-161 % similar Dunnite131-74-855 % similar Trinitroanisole606-35-955 % similar 1,8-Dinitronaphthalene602-38-052 % similar

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

Elsewhere

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